3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide

C12H11N3O2 — CID 121015645

IUPAC3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide
SMILESN#CC1CCN(C(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C12H11N3O2/c13-8-9-6-7-15(11(9)16)12(17)14-10-4-2-1-3-5-10/h1-5,9H,6-7H2,(H,14,17)
InChIKeyIRZJDJPERUWOJZ-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.59
Rot. Bonds1

About 3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide

3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide (PubChem CID 121015645) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide
PubChem CID121015645
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide
SMILESN#CC1CCN(C(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C12H11N3O2/c13-8-9-6-7-15(11(9)16)12(17)14-10-4-2-1-3-5-10/h1-5,9H,6-7H2,(H,14,17)
InChIKeyIRZJDJPERUWOJZ-UHFFFAOYSA-N
XLogP1.59
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 97299719
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(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
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3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid
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N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of 3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide (CID 121015645) is 3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide is N#CC1CCN(C(=O)Nc2ccccc2)C1=O.
What is the InChIKey of 3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is IRZJDJPERUWOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-8-9-6-7-15(11(9)16)12(17)14-10-4-2-1-3-5-10/h1-5,9H,6-7H2,(H,14,17).
What are the key properties of 3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide?
3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 121015645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).