2-(1-hydroxycyclopentyl)propanenitrile

C8H13NO — CID 79129570

IUPAC2-(1-hydroxycyclopentyl)propanenitrile
SMILESCC(C#N)C1(O)CCCC1
InChIInChI=1S/C8H13NO/c1-7(6-9)8(10)4-2-3-5-8/h7,10H,2-5H2,1H3
InChIKeyQNMMTZNUSLGPHC-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.45
Rot. Bonds1

About 2-(1-hydroxycyclopentyl)propanenitrile

2-(1-hydroxycyclopentyl)propanenitrile (PubChem CID 79129570) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)propanenitrile.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)propanenitrile
PubChem CID79129570
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(1-hydroxycyclopentyl)propanenitrile
SMILESCC(C#N)C1(O)CCCC1
InChIInChI=1S/C8H13NO/c1-7(6-9)8(10)4-2-3-5-8/h7,10H,2-5H2,1H3
InChIKeyQNMMTZNUSLGPHC-UHFFFAOYSA-N
XLogP1.45
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-hydroxycyclopentyl)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-(1-hydroxycyclopentyl)propanenitrile?
The IUPAC name of 2-(1-hydroxycyclopentyl)propanenitrile (CID 79129570) is 2-(1-hydroxycyclopentyl)propanenitrile.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)propanenitrile?
The canonical SMILES for 2-(1-hydroxycyclopentyl)propanenitrile is CC(C#N)C1(O)CCCC1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)propanenitrile?
The InChIKey is QNMMTZNUSLGPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(6-9)8(10)4-2-3-5-8/h7,10H,2-5H2,1H3.
What are the key properties of 2-(1-hydroxycyclopentyl)propanenitrile?
2-(1-hydroxycyclopentyl)propanenitrile has a molecular weight of 139.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)propanenitrile is sourced from PubChem (CID 79129570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).