3-(5-oxocyclopenten-1-yl)propanenitrile

C8H9NO — CID 101458075

IUPAC3-(5-oxocyclopenten-1-yl)propanenitrile
SMILESN#CCCC1=CCCC1=O
InChIInChI=1S/C8H9NO/c9-6-2-4-7-3-1-5-8(7)10/h3H,1-2,4-5H2
InChIKeyFSTLJPKZWQHFRL-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.58
Rot. Bonds2

About 3-(5-oxocyclopenten-1-yl)propanenitrile

3-(5-oxocyclopenten-1-yl)propanenitrile (PubChem CID 101458075) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-(5-oxocyclopenten-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(5-oxocyclopenten-1-yl)propanenitrile
PubChem CID101458075
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name3-(5-oxocyclopenten-1-yl)propanenitrile
SMILESN#CCCC1=CCCC1=O
InChIInChI=1S/C8H9NO/c9-6-2-4-7-3-1-5-8(7)10/h3H,1-2,4-5H2
InChIKeyFSTLJPKZWQHFRL-UHFFFAOYSA-N
XLogP1.58
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(5-oxocyclopenten-1-yl)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 3-(5-oxocyclopenten-1-yl)propanenitrile?
The IUPAC name of 3-(5-oxocyclopenten-1-yl)propanenitrile (CID 101458075) is 3-(5-oxocyclopenten-1-yl)propanenitrile.
What is the SMILES notation for 3-(5-oxocyclopenten-1-yl)propanenitrile?
The canonical SMILES for 3-(5-oxocyclopenten-1-yl)propanenitrile is N#CCCC1=CCCC1=O.
What is the InChIKey of 3-(5-oxocyclopenten-1-yl)propanenitrile?
The InChIKey is FSTLJPKZWQHFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c9-6-2-4-7-3-1-5-8(7)10/h3H,1-2,4-5H2.
What are the key properties of 3-(5-oxocyclopenten-1-yl)propanenitrile?
3-(5-oxocyclopenten-1-yl)propanenitrile has a molecular weight of 135.17 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxocyclopenten-1-yl)propanenitrile is sourced from PubChem (CID 101458075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).