2-(2,4-diethylcyclopentyl)acetonitrile

C11H19N — CID 167210010

IUPAC2-(2,4-diethylcyclopentyl)acetonitrile
SMILESCCC1CC(CC)C(CC#N)C1
InChIInChI=1S/C11H19N/c1-3-9-7-10(4-2)11(8-9)5-6-12/h9-11H,3-5,7-8H2,1-2H3
InChIKeyJUHCQFWZCVFJOC-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.36
Rot. Bonds3

About 2-(2,4-diethylcyclopentyl)acetonitrile

2-(2,4-diethylcyclopentyl)acetonitrile (PubChem CID 167210010) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-(2,4-diethylcyclopentyl)acetonitrile.

Molecular Properties

Compound Name2-(2,4-diethylcyclopentyl)acetonitrile
PubChem CID167210010
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-(2,4-diethylcyclopentyl)acetonitrile
SMILESCCC1CC(CC)C(CC#N)C1
InChIInChI=1S/C11H19N/c1-3-9-7-10(4-2)11(8-9)5-6-12/h9-11H,3-5,7-8H2,1-2H3
InChIKeyJUHCQFWZCVFJOC-UHFFFAOYSA-N
XLogP3.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethylcyclopentyl)acetonitrile?
The IUPAC name of 2-(2,4-diethylcyclopentyl)acetonitrile (CID 167210010) is 2-(2,4-diethylcyclopentyl)acetonitrile.
What is the SMILES notation for 2-(2,4-diethylcyclopentyl)acetonitrile?
The canonical SMILES for 2-(2,4-diethylcyclopentyl)acetonitrile is CCC1CC(CC)C(CC#N)C1.
What is the InChIKey of 2-(2,4-diethylcyclopentyl)acetonitrile?
The InChIKey is JUHCQFWZCVFJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-9-7-10(4-2)11(8-9)5-6-12/h9-11H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(2,4-diethylcyclopentyl)acetonitrile?
2-(2,4-diethylcyclopentyl)acetonitrile has a molecular weight of 165.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethylcyclopentyl)acetonitrile is sourced from PubChem (CID 167210010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).