4-cyclopentylpentanenitrile

C10H17N — CID 18433856

IUPAC4-cyclopentylpentanenitrile
SMILESCC(CCC#N)C1CCCC1
InChIInChI=1S/C10H17N/c1-9(5-4-8-11)10-6-2-3-7-10/h9-10H,2-7H2,1H3
InChIKeyDMYRODGWGFMICN-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.12
Rot. Bonds3

About 4-cyclopentylpentanenitrile

4-cyclopentylpentanenitrile (PubChem CID 18433856) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-cyclopentylpentanenitrile.

Molecular Properties

Compound Name4-cyclopentylpentanenitrile
PubChem CID18433856
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-cyclopentylpentanenitrile
SMILESCC(CCC#N)C1CCCC1
InChIInChI=1S/C10H17N/c1-9(5-4-8-11)10-6-2-3-7-10/h9-10H,2-7H2,1H3
InChIKeyDMYRODGWGFMICN-UHFFFAOYSA-N
XLogP3.12
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-cyclopentylpentanenitrile 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 4-cyclopentylpentanenitrile?
The IUPAC name of 4-cyclopentylpentanenitrile (CID 18433856) is 4-cyclopentylpentanenitrile.
What is the SMILES notation for 4-cyclopentylpentanenitrile?
The canonical SMILES for 4-cyclopentylpentanenitrile is CC(CCC#N)C1CCCC1.
What is the InChIKey of 4-cyclopentylpentanenitrile?
The InChIKey is DMYRODGWGFMICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-9(5-4-8-11)10-6-2-3-7-10/h9-10H,2-7H2,1H3.
What are the key properties of 4-cyclopentylpentanenitrile?
4-cyclopentylpentanenitrile has a molecular weight of 151.25 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylpentanenitrile is sourced from PubChem (CID 18433856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).