2-cyclopentyl-2-methylpropanenitrile

C9H15N — CID 23230192

IUPAC2-cyclopentyl-2-methylpropanenitrile
SMILESCC(C)(C#N)C1CCCC1
InChIInChI=1S/C9H15N/c1-9(2,7-10)8-5-3-4-6-8/h8H,3-6H2,1-2H3
InChIKeyNSSDWHFRYRAQHY-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.73
Rot. Bonds1

About 2-cyclopentyl-2-methylpropanenitrile

2-cyclopentyl-2-methylpropanenitrile (PubChem CID 23230192) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-cyclopentyl-2-methylpropanenitrile.

Molecular Properties

Compound Name2-cyclopentyl-2-methylpropanenitrile
PubChem CID23230192
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-cyclopentyl-2-methylpropanenitrile
SMILESCC(C)(C#N)C1CCCC1
InChIInChI=1S/C9H15N/c1-9(2,7-10)8-5-3-4-6-8/h8H,3-6H2,1-2H3
InChIKeyNSSDWHFRYRAQHY-UHFFFAOYSA-N
XLogP2.73
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-cyclopentyl-2-methylpropanenitrile 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-cyclopentyl-2-methylpropanenitrile?
The IUPAC name of 2-cyclopentyl-2-methylpropanenitrile (CID 23230192) is 2-cyclopentyl-2-methylpropanenitrile.
What is the SMILES notation for 2-cyclopentyl-2-methylpropanenitrile?
The canonical SMILES for 2-cyclopentyl-2-methylpropanenitrile is CC(C)(C#N)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-methylpropanenitrile?
The InChIKey is NSSDWHFRYRAQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-9(2,7-10)8-5-3-4-6-8/h8H,3-6H2,1-2H3.
What are the key properties of 2-cyclopentyl-2-methylpropanenitrile?
2-cyclopentyl-2-methylpropanenitrile has a molecular weight of 137.23 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-methylpropanenitrile is sourced from PubChem (CID 23230192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).