3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile

C23H24N2O3 — CID 10452155

IUPAC3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(C#N)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H24N2O3/c1-27-21-10-9-17(12-22(21)28-20-7-2-3-8-20)18-13-23(26)25(15-18)19-6-4-5-16(11-19)14-24/h4-6,9-12,18,20H,2-3,7-8,13,15H2,1H3/t18-/m0/s1
InChIKeyJUEZWZGYCGRSBU-SFHVURJKSA-N
MW376.46 g/mol
LogP4.41
Rot. Bonds5

About 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile

3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile (PubChem CID 10452155) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile
PubChem CID10452155
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(C#N)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H24N2O3/c1-27-21-10-9-17(12-22(21)28-20-7-2-3-8-20)18-13-23(26)25(15-18)19-6-4-5-16(11-19)14-24/h4-6,9-12,18,20H,2-3,7-8,13,15H2,1H3/t18-/m0/s1
InChIKeyJUEZWZGYCGRSBU-SFHVURJKSA-N
XLogP4.41
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

(4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 11268574
(4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 9842857
1-(3-Fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10003477
(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(m-tolyl)pyrrolidin-2-one
CID 10021760
1-(3-Fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10409431
1-(4-Methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10410103
(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
CID 11743380
(R)-1-(3-aminophenyl)-4-(3-(cyclopentyloxy)-4-methoxyphenyl)pyrrolidin-2-one
CID 15958380
1-[(4-Aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 44380311
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 7446646
4-[(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-oxo-pyrrolidin-1-yl]benzonitrile
CID 10045073
3-(3-cyclopentyloxy-4-methoxyphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 10068352

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile?
The IUPAC name of 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile (CID 10452155) is 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile.
What is the SMILES notation for 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile?
The canonical SMILES for 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile is COc1ccc([C@H]2CC(=O)N(c3cccc(C#N)c3)C2)cc1OC1CCCC1.
What is the InChIKey of 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile?
The InChIKey is JUEZWZGYCGRSBU-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-21-10-9-17(12-22(21)28-20-7-2-3-8-20)18-13-23(26)25(15-18)19-6-4-5-16(11-19)14-24/h4-6,9-12,18,20H,2-3,7-8,13,15H2,1H3/t18-/m0/s1.
What are the key properties of 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile?
3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile has a molecular weight of 376.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile is sourced from PubChem (CID 10452155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).