2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile

C11H19N — CID 129216276

IUPAC2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile
SMILESCCC1(C)CCCC1(C)CC#N
InChIInChI=1S/C11H19N/c1-4-10(2)6-5-7-11(10,3)8-9-12/h4-8H2,1-3H3
InChIKeyCJZAYAPKIMEQEY-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.51
Rot. Bonds2

About 2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile

2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile (PubChem CID 129216276) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile.

Molecular Properties

Compound Name2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile
PubChem CID129216276
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile
SMILESCCC1(C)CCCC1(C)CC#N
InChIInChI=1S/C11H19N/c1-4-10(2)6-5-7-11(10,3)8-9-12/h4-8H2,1-3H3
InChIKeyCJZAYAPKIMEQEY-UHFFFAOYSA-N
XLogP3.51
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile 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-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile?
The IUPAC name of 2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile (CID 129216276) is 2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile.
What is the SMILES notation for 2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile?
The canonical SMILES for 2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile is CCC1(C)CCCC1(C)CC#N.
What is the InChIKey of 2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile?
The InChIKey is CJZAYAPKIMEQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-10(2)6-5-7-11(10,3)8-9-12/h4-8H2,1-3H3.
What are the key properties of 2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile?
2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile has a molecular weight of 165.28 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2-dimethylcyclopentyl)acetonitrile is sourced from PubChem (CID 129216276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).