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Pyrrolines

Organic heterocyclic compounds that consist of a five-membered ring with four carbon atoms, one nitrogen atom, and one double bond.

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1

N-Phenylmaleimide, TRC

CAS: 941-69-5 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.17 IUPAC Name: 1-phenylpyrrole-2,5-dione SMILES: O=C1C=CC(=O)N1c2ccccc2

CAS 941-69-5
Molecular Weight (g/mol) 173.17
SMILES O=C1C=CC(=O)N1c2ccccc2
IUPAC Name 1-phenylpyrrole-2,5-dione
Molecular Formula C10H7NO2
2

N-(3-Hydroxyphenyl)maleimide, TRC

CAS: 63381-38-4 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 Synonym: 1H-Pyrrole-2,5-dione, 1-(3-hydroxyphenyl)- (9CI, ACI),1-(3-Hydroxyphenyl)-1H-pyrrole-2,5-dione (ACI),1-(3-Hydroxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione,m-Maleimidophenol,N-(3-Hydroxyphenyl)maleimide,N-(m-Hydroxyphenyl)maleimide IUPAC Name: 1-(3-hydroxyphenyl)pyrrole-2,5-dione SMILES: Oc1cccc(c1)N2C(=O)C=CC2=O

CAS 63381-38-4
Molecular Weight (g/mol) 189.17
SMILES Oc1cccc(c1)N2C(=O)C=CC2=O
Synonym 1H-Pyrrole-2,5-dione, 1-(3-hydroxyphenyl)- (9CI, ACI),1-(3-Hydroxyphenyl)-1H-pyrrole-2,5-dione (ACI),1-(3-Hydroxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione,m-Maleimidophenol,N-(3-Hydroxyphenyl)maleimide,N-(m-Hydroxyphenyl)maleimide
IUPAC Name 1-(3-hydroxyphenyl)pyrrole-2,5-dione
Molecular Formula C10H7NO3
3

5,5-Dimethyl-1-pyrroline N-Oxide, TRC

CAS: 3317-61-1 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 Synonym: 2,2-Dimethyl-3,4-dihydro-2H-pyrrole N-Oxide,5,5-Dimethyl-1-pyrroline 1-Oxide,5,5-Dimethyl-4,5-dihydro-3H-pyrrole N-Oxide,5,5-Dimethyl-Δ1-pyrroline 1-Oxide,5,5-Dimethyl-Δ1-pyrroline N-Oxide,DMPO SMILES: CC1(C)CCC=[N+]1[O-]

CAS 3317-61-1
Molecular Weight (g/mol) 113.16
SMILES CC1(C)CCC=[N+]1[O-]
Synonym 2,2-Dimethyl-3,4-dihydro-2H-pyrrole N-Oxide,5,5-Dimethyl-1-pyrroline 1-Oxide,5,5-Dimethyl-4,5-dihydro-3H-pyrrole N-Oxide,5,5-Dimethyl-Δ1-pyrroline 1-Oxide,5,5-Dimethyl-Δ1-pyrroline N-Oxide,DMPO
Molecular Formula C6H11NO
4

N-(4-METHYL-2-NITROPHENYL)MALEIMIDE, TRC

CAS: 91135-77-2 Molecular Formula: C11H8N2O4 Molecular Weight (g/mol): 232.19 Synonym: 1-(4-Methyl-2-nitrophenyl)-1H-pyrrole-2,5-dione;1-(4-Methyl-2-nitro-phenyl)-pyrrole-2,5-dione;1-(4-Methyl-2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione;1-(4-Methyl-2-nitrophenyl)pyrrole-2,5-dione; IUPAC Name: 1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione SMILES: Cc1ccc(N2C(=O)C=CC2=O)c(c1)[N+](=O)[O-]

CAS 91135-77-2
Molecular Weight (g/mol) 232.19
SMILES Cc1ccc(N2C(=O)C=CC2=O)c(c1)[N+](=O)[O-]
Synonym 1-(4-Methyl-2-nitrophenyl)-1H-pyrrole-2,5-dione;1-(4-Methyl-2-nitro-phenyl)-pyrrole-2,5-dione;1-(4-Methyl-2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione;1-(4-Methyl-2-nitrophenyl)pyrrole-2,5-dione;
IUPAC Name 1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione
Molecular Formula C11H8N2O4
5

1-Oxyl-2,2,5,5-tetramethylpyrroline-3-carboxylate N-Hydroxysuccinimide Ester, TRC

CAS: 37558-29-5 Molecular Formula: C13 H17 N2 O5 Molecular Weight (g/mol): 281.28 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrole-3-carboxylate SMILES: CC1(C)C=C(C(=O)ON2C(=O)CCC2=O)C(C)(C)N1[O]

CAS 37558-29-5
Molecular Weight (g/mol) 281.28
SMILES CC1(C)C=C(C(=O)ON2C(=O)CCC2=O)C(C)(C)N1[O]
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrole-3-carboxylate
Molecular Formula C13 H17 N2 O5
6

3-Ethyl-2,5-dihydro-4-methyl-2-oxo-N-(2-phenylethyl)-1H-pyrrole-1-carboxamide, TRC

CAS: 247098-18-6 Molecular Formula: C16 H20 N2 O2 Molecular Weight (g/mol): 272.34 Synonym: 1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-2-oxo-N-(2-phenylethyl)-,3-Ethyl-2,5-dihydro-4-methyl-2-oxo-N-(2-phenylethyl)-1H-pyrrole-1-carboxamide,3-Ethyl-4-methyl-2-oxo-N-(2-phenylethyl)-2,5-dihydro-1H-pyrrole-1-carboxamide IUPAC Name: 4-ethyl-3-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-1-carboxamide SMILES: CCC1=C(C)CN(C(=O)NCCc2ccccc2)C1=O

CAS 247098-18-6
Molecular Weight (g/mol) 272.34
SMILES CCC1=C(C)CN(C(=O)NCCc2ccccc2)C1=O
Synonym 1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-2-oxo-N-(2-phenylethyl)-,3-Ethyl-2,5-dihydro-4-methyl-2-oxo-N-(2-phenylethyl)-1H-pyrrole-1-carboxamide,3-Ethyl-4-methyl-2-oxo-N-(2-phenylethyl)-2,5-dihydro-1H-pyrrole-1-carboxamide
IUPAC Name 4-ethyl-3-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-1-carboxamide
Molecular Formula C16 H20 N2 O2
7

Fluoroimide, TRC

CAS: 41205-21-4 Molecular Formula: C10 H4 Cl2 F N O2 Molecular Weight (g/mol): 260.05 Synonym: 3,4-Dichloro-1-(4-fluorophenyl)-1H-pyrrole-2,5-dione,2,3-Dichloro-N-(4-fluorophenyl)maleimide,2,3-Dichloro-N-(p-fluorophenyl)maleimide,Fluoroimide,Fluoromide,MK 23,N-(4-Fluorophenyl)-2,3-dichloromaleimide,N-(4-Fluorophenyl)dichloromaleimide,N-(p-Fluorophenyl)-2,3-dichloromaleimide,NSC 622384,Spartcide,Spat IUPAC Name: 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione SMILES: Fc1ccc(cc1)N2C(=O)C(=C(Cl)C2=O)Cl

CAS 41205-21-4
Molecular Weight (g/mol) 260.05
SMILES Fc1ccc(cc1)N2C(=O)C(=C(Cl)C2=O)Cl
Synonym 3,4-Dichloro-1-(4-fluorophenyl)-1H-pyrrole-2,5-dione,2,3-Dichloro-N-(4-fluorophenyl)maleimide,2,3-Dichloro-N-(p-fluorophenyl)maleimide,Fluoroimide,Fluoromide,MK 23,N-(4-Fluorophenyl)-2,3-dichloromaleimide,N-(4-Fluorophenyl)dichloromaleimide,N-(p-Fluorophenyl)-2,3-dichloromaleimide,NSC 622384,Spartcide,Spat
IUPAC Name 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione
Molecular Formula C10 H4 Cl2 F N O2
8

2-Methyl-1-pyrroline, 98%, Thermo Scientific Chemicals

CAS: 872-32-2 Molecular Formula: C5H10N Molecular Weight (g/mol): 84.14 MDL Number: MFCD00128806 InChI Key: OZLJZWIVBYLSOK-UHFFFAOYSA-N Synonym: 2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412 PubChem CID: 70103 ChEBI: CHEBI:78856 SMILES: C[C+]1CCCN1

PubChem CID 70103
CAS 872-32-2
Molecular Weight (g/mol) 84.14
ChEBI CHEBI:78856
MDL Number MFCD00128806
SMILES C[C+]1CCCN1
Synonym 2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412
InChI Key OZLJZWIVBYLSOK-UHFFFAOYSA-N
Molecular Formula C5H10N
9

3-Ethyl-4-methyl-3-pyrrolin-2-one, 98%

CAS: 766-36-9 Molecular Formula: C7H11NO Molecular Weight (g/mol): 125.17 MDL Number: MFCD00173861 InChI Key: YCTNTSVMJWIYTQ-UHFFFAOYSA-N Synonym: 3-ethyl-4-methyl-3-pyrrolin-2-one,3-ethyl-4-methyl-3-pyrroline-2-one,3-ethyl-4-methyl-2,5-dihydro-1h-pyrrol-2-one,3-ethyl-4-methyl-1h-pyrrol-2 5h-one,1,5-dihydro-3-ethyl-4-methyl-2h-pyrrol-2-one,2h-pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl,3-ethyl-4-methyl-2-oxo-3-pyrroline,3-ethyl-4-methyl-1,5-dihydropyrrol-2-one,3-ethyl-1,5-dihydro-4-methyl-2h-pyrrol-2-one,pubchem12392 PubChem CID: 854146 SMILES: CCC1=C(C)CNC1=O

PubChem CID 854146
CAS 766-36-9
Molecular Weight (g/mol) 125.17
MDL Number MFCD00173861
SMILES CCC1=C(C)CNC1=O
Synonym 3-ethyl-4-methyl-3-pyrrolin-2-one,3-ethyl-4-methyl-3-pyrroline-2-one,3-ethyl-4-methyl-2,5-dihydro-1h-pyrrol-2-one,3-ethyl-4-methyl-1h-pyrrol-2 5h-one,1,5-dihydro-3-ethyl-4-methyl-2h-pyrrol-2-one,2h-pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl,3-ethyl-4-methyl-2-oxo-3-pyrroline,3-ethyl-4-methyl-1,5-dihydropyrrol-2-one,3-ethyl-1,5-dihydro-4-methyl-2h-pyrrol-2-one,pubchem12392
InChI Key YCTNTSVMJWIYTQ-UHFFFAOYSA-N
Molecular Formula C7H11NO
10

3-Methoxycarbonyl-2,2,5,5-tetramethyl-3-pyrrolidin-1-oxyl, TRC

CAS: 2154-32-7 Molecular Formula: C10 H18 N O3 Molecular Weight (g/mol): 200.25 IUPAC Name: methyl 1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrolidine-3-carboxylate SMILES: COC(=O)C1CC(C)(C)N([O])C1(C)C

CAS 2154-32-7
Molecular Weight (g/mol) 200.25
SMILES COC(=O)C1CC(C)(C)N([O])C1(C)C
IUPAC Name methyl 1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
Molecular Formula C10 H18 N O3
11

2-Methyl-1-pyrroline, Thermo Scientific Chemicals

CAS: 872-32-2 Molecular Formula: C5H10N Molecular Weight (g/mol): 84.14 MDL Number: MFCD00128806 InChI Key: OZLJZWIVBYLSOK-UHFFFAOYSA-N Synonym: 2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412 PubChem CID: 70103 ChEBI: CHEBI:78856 IUPAC Name: 5-methyl-3,4-dihydro-2H-pyrrole SMILES: C[C+]1CCCN1

PubChem CID 70103
CAS 872-32-2
Molecular Weight (g/mol) 84.14
ChEBI CHEBI:78856
MDL Number MFCD00128806
SMILES C[C+]1CCCN1
Synonym 2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412
IUPAC Name 5-methyl-3,4-dihydro-2H-pyrrole
InChI Key OZLJZWIVBYLSOK-UHFFFAOYSA-N
Molecular Formula C5H10N
12

4-Methoxy-3-pyrrolin-2-one, 99%

CAS: 69778-83-2 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD00071564 InChI Key: TXKQBYYDTLOLHA-UHFFFAOYSA-N Synonym: 4-methoxy-3-pyrrolin-2-one,4-methoxy-1h-pyrrol-2 5h-one,4-methoxy-1,5-dihydro-2h-pyrrol-2-one,4-methoxy-1,5-dihydropyrrol-2-one,2h-pyrrol-2-one, 1,5-dihydro-4-methoxy,4-methoxy-2,5-dihydro-1h-pyrrol-2-one,4-methoxy-1,5-dihydropyrro-2-one,1,5-dihydro-4-methoxy-2h-pyrrol-2-on,4-methoxy-3-pyrroline-2-one PubChem CID: 574769 IUPAC Name: 3-methoxy-1,2-dihydropyrrol-5-one SMILES: COC1=CC(=O)NC1

PubChem CID 574769
CAS 69778-83-2
Molecular Weight (g/mol) 113.116
MDL Number MFCD00071564
SMILES COC1=CC(=O)NC1
Synonym 4-methoxy-3-pyrrolin-2-one,4-methoxy-1h-pyrrol-2 5h-one,4-methoxy-1,5-dihydro-2h-pyrrol-2-one,4-methoxy-1,5-dihydropyrrol-2-one,2h-pyrrol-2-one, 1,5-dihydro-4-methoxy,4-methoxy-2,5-dihydro-1h-pyrrol-2-one,4-methoxy-1,5-dihydropyrro-2-one,1,5-dihydro-4-methoxy-2h-pyrrol-2-on,4-methoxy-3-pyrroline-2-one
IUPAC Name 3-methoxy-1,2-dihydropyrrol-5-one
InChI Key TXKQBYYDTLOLHA-UHFFFAOYSA-N
Molecular Formula C5H7NO2
13

4-Bromo-(1-oxyl-2,2,5,5-tetramethyl-∆3-pyrroline-3-methyl) Methanethiosulfonate, TRC

CAS: 215956-55-1 Molecular Formula: C10 H17 Br N O3 S2 Molecular Weight (g/mol): 343.28 IUPAC Name: 3-bromo-1-λ^{1}-oxidanyl-2,2,5,5-tetramethyl-4-(methylsulfonylsulfanylmethyl)pyrrole SMILES: CC1(C)N([O])C(C)(C)C(=C1Br)CSS(=O)(=O)C

CAS 215956-55-1
Molecular Weight (g/mol) 343.28
SMILES CC1(C)N([O])C(C)(C)C(=C1Br)CSS(=O)(=O)C
IUPAC Name 3-bromo-1-λ^{1}-oxidanyl-2,2,5,5-tetramethyl-4-(methylsulfonylsulfanylmethyl)pyrrole
Molecular Formula C10 H17 Br N O3 S2
14

3-Pyrroline, tech. 85% (remainder pyrrolidine)

CAS: 109-96-6 Molecular Formula: C4H7N Molecular Weight (g/mol): 69.107 MDL Number: MFCD00005213 InChI Key: JVQIKJMSUIMUDI-UHFFFAOYSA-N PubChem CID: 66059 ChEBI: CHEBI:20198 IUPAC Name: 2,5-dihydro-1H-pyrrole SMILES: C1C=CCN1

PubChem CID 66059
CAS 109-96-6
Molecular Weight (g/mol) 69.107
ChEBI CHEBI:20198
MDL Number MFCD00005213
SMILES C1C=CCN1
IUPAC Name 2,5-dihydro-1H-pyrrole
InChI Key JVQIKJMSUIMUDI-UHFFFAOYSA-N
Molecular Formula C4H7N
15

3-Pyrroline, 96%

CAS: 109-96-6 Molecular Formula: C4H7N Molecular Weight (g/mol): 69.107 MDL Number: MFCD00005213 InChI Key: JVQIKJMSUIMUDI-UHFFFAOYSA-N PubChem CID: 66059 ChEBI: CHEBI:20198 IUPAC Name: 2,5-dihydro-1H-pyrrole SMILES: C1C=CCN1

PubChem CID 66059
CAS 109-96-6
Molecular Weight (g/mol) 69.107
ChEBI CHEBI:20198
MDL Number MFCD00005213
SMILES C1C=CCN1
IUPAC Name 2,5-dihydro-1H-pyrrole
InChI Key JVQIKJMSUIMUDI-UHFFFAOYSA-N
Molecular Formula C4H7N