1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C13H16N2O2 — CID 2927255

IUPAC1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(N)=O)CC2=O)cc1C
InChIInChI=1S/C13H16N2O2/c1-8-3-4-11(5-9(8)2)15-7-10(13(14)17)6-12(15)16/h3-5,10H,6-7H2,1-2H3,(H2,14,17)
InChIKeyLSFGHDIRMLUNIO-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.14
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2927255) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2927255
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(N)=O)CC2=O)cc1C
InChIInChI=1S/C13H16N2O2/c1-8-3-4-11(5-9(8)2)15-7-10(13(14)17)6-12(15)16/h3-5,10H,6-7H2,1-2H3,(H2,14,17)
InChIKeyLSFGHDIRMLUNIO-UHFFFAOYSA-N
XLogP1.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ropinirole
CID 5095
N,N'-bis(3,4-dimethylphenyl)propanediamide
CID 228389
Ethyl 1-[3-(3,4-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 740689
1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2844150
N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 740682
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072556
N-([1,1'-Biphenyl]-3-yl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072557
(1S,2S)-1-(dimethylcarbamoyl)-1-(4-acetamidophenyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropan-2-aminium
CID 23647704
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-[4-(N-methylacetamido)phenyl]-3-oxopropan-2-aminium
CID 23647708
1-allyl-N-(3,4-dimethylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486113
N-(4-cyanophenyl)-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxamide
CID 3155980

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2927255) is 1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(N)=O)CC2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LSFGHDIRMLUNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-3-4-11(5-9(8)2)15-7-10(13(14)17)6-12(15)16/h3-5,10H,6-7H2,1-2H3,(H2,14,17).
What are the key properties of 1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2927255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).