3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide

C12H11N3O2 — CID 71789109

IUPAC3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESN#Cc1cccc(C(=O)NC2CNC(=O)C2)c1
InChIInChI=1S/C12H11N3O2/c13-6-8-2-1-3-9(4-8)12(17)15-10-5-11(16)14-7-10/h1-4,10H,5,7H2,(H,14,16)(H,15,17)
InChIKeyKIJFFKPSALFOTF-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.18
Rot. Bonds2

About 3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide

3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide (PubChem CID 71789109) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide
PubChem CID71789109
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESN#Cc1cccc(C(=O)NC2CNC(=O)C2)c1
InChIInChI=1S/C12H11N3O2/c13-6-8-2-1-3-9(4-8)12(17)15-10-5-11(16)14-7-10/h1-4,10H,5,7H2,(H,14,16)(H,15,17)
InChIKeyKIJFFKPSALFOTF-UHFFFAOYSA-N
XLogP0.18
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[(3R)-5-oxopyrrolidin-3-yl]benzamide
CID 95985010
3-cyano-N-(6-oxopiperidin-3-yl)benzamide
CID 62491080
3-cyano-N-(2-oxoazepan-4-yl)benzamide
CID 19090425
3-[(5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 114156972
3-[(E)-N'-hydroxycarbamimidoyl]-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197351
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
3-methyl-N-(2-oxopiperidin-4-yl)benzamide
CID 112534523
3-fluoro-N-(2-oxopiperidin-4-yl)benzamide
CID 112534527
3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75279124
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325
N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
N-(5-oxopyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 112534753

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide (CID 71789109) is 3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide is N#Cc1cccc(C(=O)NC2CNC(=O)C2)c1.
What is the InChIKey of 3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide?
The InChIKey is KIJFFKPSALFOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-6-8-2-1-3-9(4-8)12(17)15-10-5-11(16)14-7-10/h1-4,10H,5,7H2,(H,14,16)(H,15,17).
What are the key properties of 3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide?
3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide has a molecular weight of 229.24 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 71789109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).