3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile

C20H18N2O2 — CID 97041924

IUPAC3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1
InChIInChI=1S/C20H18N2O2/c21-14-15-6-4-9-17(12-15)20(24)22-11-5-10-18(22)13-19(23)16-7-2-1-3-8-16/h1-4,6-9,12,18H,5,10-11,13H2/t18-/m1/s1
InChIKeyDSOBBXRDWIFJGE-GOSISDBHSA-N
MW318.38 g/mol
LogP3.44
Rot. Bonds4

About 3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile

3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile (PubChem CID 97041924) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile
PubChem CID97041924
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1
InChIInChI=1S/C20H18N2O2/c21-14-15-6-4-9-17(12-15)20(24)22-11-5-10-18(22)13-19(23)16-7-2-1-3-8-16/h1-4,6-9,12,18H,5,10-11,13H2/t18-/m1/s1
InChIKeyDSOBBXRDWIFJGE-GOSISDBHSA-N
XLogP3.44
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]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

2-[3-[(2S)-2-phenacylpyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 97041772
3-(2-formylpyrrolidine-1-carbonyl)benzonitrile
CID 146357937
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)benzonitrile
CID 17498248
2-[1-(4-acetylbenzoyl)pyrrolidin-2-yl]-1-phenylethanone
CID 75425281
3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile
CID 62125197
tert-butyl 2-[2-(3-cyanophenyl)-2-oxoethyl]azocane-1-carboxylate
CID 114239633
3-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]benzonitrile
CID 129428393
3-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]benzonitrile
CID 95303105
1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone
CID 97041732
3-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 2553523
3-[2-(3,5-dimethylphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 86951387
(2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196179

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile?
The IUPAC name of 3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile (CID 97041924) is 3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile?
The canonical SMILES for 3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile is N#Cc1cccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1.
What is the InChIKey of 3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile?
The InChIKey is DSOBBXRDWIFJGE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18N2O2/c21-14-15-6-4-9-17(12-15)20(24)22-11-5-10-18(22)13-19(23)16-7-2-1-3-8-16/h1-4,6-9,12,18H,5,10-11,13H2/t18-/m1/s1.
What are the key properties of 3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile?
3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile has a molecular weight of 318.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 97041924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).