3-(2-ethoxycyclopentyl)propanenitrile

C10H17NO — CID 12812361

IUPAC3-(2-ethoxycyclopentyl)propanenitrile
SMILESCCOC1CCCC1CCC#N
InChIInChI=1S/C10H17NO/c1-2-12-10-7-3-5-9(10)6-4-8-11/h9-10H,2-7H2,1H3
InChIKeyJLTGJTOZUHCKSY-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.50
Rot. Bonds4

About 3-(2-ethoxycyclopentyl)propanenitrile

3-(2-ethoxycyclopentyl)propanenitrile (PubChem CID 12812361) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(2-ethoxycyclopentyl)propanenitrile.

Molecular Properties

Compound Name3-(2-ethoxycyclopentyl)propanenitrile
PubChem CID12812361
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(2-ethoxycyclopentyl)propanenitrile
SMILESCCOC1CCCC1CCC#N
InChIInChI=1S/C10H17NO/c1-2-12-10-7-3-5-9(10)6-4-8-11/h9-10H,2-7H2,1H3
InChIKeyJLTGJTOZUHCKSY-UHFFFAOYSA-N
XLogP2.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-ethoxycyclopentyl)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 3-(2-ethoxycyclopentyl)propanenitrile?
The IUPAC name of 3-(2-ethoxycyclopentyl)propanenitrile (CID 12812361) is 3-(2-ethoxycyclopentyl)propanenitrile.
What is the SMILES notation for 3-(2-ethoxycyclopentyl)propanenitrile?
The canonical SMILES for 3-(2-ethoxycyclopentyl)propanenitrile is CCOC1CCCC1CCC#N.
What is the InChIKey of 3-(2-ethoxycyclopentyl)propanenitrile?
The InChIKey is JLTGJTOZUHCKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-12-10-7-3-5-9(10)6-4-8-11/h9-10H,2-7H2,1H3.
What are the key properties of 3-(2-ethoxycyclopentyl)propanenitrile?
3-(2-ethoxycyclopentyl)propanenitrile has a molecular weight of 167.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxycyclopentyl)propanenitrile is sourced from PubChem (CID 12812361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).