3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

C13H13N3O2 — CID 113239507

IUPAC3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2cccc(C#N)c2)C1=O
InChIInChI=1S/C13H13N3O2/c1-16-6-5-11(13(16)18)15-12(17)10-4-2-3-9(7-10)8-14/h2-4,7,11H,5-6H2,1H3,(H,15,17)
InChIKeyXPFNPMURPUOSKF-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.52
Rot. Bonds2

About 3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (PubChem CID 113239507) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
PubChem CID113239507
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2cccc(C#N)c2)C1=O
InChIInChI=1S/C13H13N3O2/c1-16-6-5-11(13(16)18)15-12(17)10-4-2-3-9(7-10)8-14/h2-4,7,11H,5-6H2,1H3,(H,15,17)
InChIKeyXPFNPMURPUOSKF-UHFFFAOYSA-N
XLogP0.52
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-methyl-2-oxopyrrolidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257175
N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
CID 110871344
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427
3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
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3-cyano-N-(2-methoxycyclopentyl)benzamide
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N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-6-carboxamide
CID 106256433
3-cyano-N-(2-methyloxolan-3-yl)benzamide
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N-(1-methyl-2-oxoazepan-3-yl)-3-nitrobenzamide
CID 53384979
3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
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N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-nitrobenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (CID 113239507) is 3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is CN1CCC(NC(=O)c2cccc(C#N)c2)C1=O.
What is the InChIKey of 3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The InChIKey is XPFNPMURPUOSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16-6-5-11(13(16)18)15-12(17)10-4-2-3-9(7-10)8-14/h2-4,7,11H,5-6H2,1H3,(H,15,17).
What are the key properties of 3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide has a molecular weight of 243.27 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 113239507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).