2-(3-oxocyclopentyl)propanenitrile

C8H11NO — CID 13075149

IUPAC2-(3-oxocyclopentyl)propanenitrile
SMILESCC(C#N)C1CCC(=O)C1
InChIInChI=1S/C8H11NO/c1-6(5-9)7-2-3-8(10)4-7/h6-7H,2-4H2,1H3
InChIKeyIHYSNGQWECCNPI-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.52
Rot. Bonds1

About 2-(3-oxocyclopentyl)propanenitrile

2-(3-oxocyclopentyl)propanenitrile (PubChem CID 13075149) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-(3-oxocyclopentyl)propanenitrile.

Molecular Properties

Compound Name2-(3-oxocyclopentyl)propanenitrile
PubChem CID13075149
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-(3-oxocyclopentyl)propanenitrile
SMILESCC(C#N)C1CCC(=O)C1
InChIInChI=1S/C8H11NO/c1-6(5-9)7-2-3-8(10)4-7/h6-7H,2-4H2,1H3
InChIKeyIHYSNGQWECCNPI-UHFFFAOYSA-N
XLogP1.52
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-oxocyclopentyl)propanenitrile 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 2-(3-oxocyclopentyl)propanenitrile?
The IUPAC name of 2-(3-oxocyclopentyl)propanenitrile (CID 13075149) is 2-(3-oxocyclopentyl)propanenitrile.
What is the SMILES notation for 2-(3-oxocyclopentyl)propanenitrile?
The canonical SMILES for 2-(3-oxocyclopentyl)propanenitrile is CC(C#N)C1CCC(=O)C1.
What is the InChIKey of 2-(3-oxocyclopentyl)propanenitrile?
The InChIKey is IHYSNGQWECCNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6(5-9)7-2-3-8(10)4-7/h6-7H,2-4H2,1H3.
What are the key properties of 2-(3-oxocyclopentyl)propanenitrile?
2-(3-oxocyclopentyl)propanenitrile has a molecular weight of 137.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxocyclopentyl)propanenitrile is sourced from PubChem (CID 13075149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).