(2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile

C9H12N2O — CID 176644947

IUPAC(2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile
SMILESN#CC1C(=O)CCN[C@H]1C1CC1
InChIInChI=1S/C9H12N2O/c10-5-7-8(12)3-4-11-9(7)6-1-2-6/h6-7,9,11H,1-4H2/t7?,9-/m0/s1
InChIKeyFSGBAEKHXNJDHM-NETXQHHPSA-N
MW164.21 g/mol
LogP0.47
Rot. Bonds1

About (2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile

(2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile (PubChem CID 176644947) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile
PubChem CID176644947
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile
SMILESN#CC1C(=O)CCN[C@H]1C1CC1
InChIInChI=1S/C9H12N2O/c10-5-7-8(12)3-4-11-9(7)6-1-2-6/h6-7,9,11H,1-4H2/t7?,9-/m0/s1
InChIKeyFSGBAEKHXNJDHM-NETXQHHPSA-N
XLogP0.47
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-cyclopropyl-4-oxopiperidine-3-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-cyclopropyl-4-oxopiperidine-3-carbonitrile?
The IUPAC name of (2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile (CID 176644947) is (2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile.
What is the SMILES notation for (2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile?
The canonical SMILES for (2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile is N#CC1C(=O)CCN[C@H]1C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile?
The InChIKey is FSGBAEKHXNJDHM-NETXQHHPSA-N. The full InChI is InChI=1S/C9H12N2O/c10-5-7-8(12)3-4-11-9(7)6-1-2-6/h6-7,9,11H,1-4H2/t7?,9-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile?
(2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile has a molecular weight of 164.21 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-4-oxopiperidine-3-carbonitrile is sourced from PubChem (CID 176644947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).