(2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile

C18H16N2O2 — CID 938010

IUPAC(2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile
SMILESCOc1ccc([C@]2(C#N)CCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-22-16-9-7-14(8-10-16)18(13-19)12-11-17(21)20(18)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3/t18-/m1/s1
InChIKeyRXFDZKFLKIOXDN-GOSISDBHSA-N
MW292.34 g/mol
LogP3.24
Rot. Bonds3

About (2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile

(2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile (PubChem CID 938010) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile
PubChem CID938010
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile
SMILESCOc1ccc([C@]2(C#N)CCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-22-16-9-7-14(8-10-16)18(13-19)12-11-17(21)20(18)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3/t18-/m1/s1
InChIKeyRXFDZKFLKIOXDN-GOSISDBHSA-N
XLogP3.24
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile (CID 938010) is (2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile is COc1ccc([C@]2(C#N)CCC(=O)N2c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile?
The InChIKey is RXFDZKFLKIOXDN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-16-9-7-14(8-10-16)18(13-19)12-11-17(21)20(18)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3/t18-/m1/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile?
(2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile has a molecular weight of 292.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 938010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).