1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile

C14H23NO — CID 65376375

IUPAC1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile
SMILESN#CC1(CCCC2CCCO2)CCCCC1
InChIInChI=1S/C14H23NO/c15-12-14(8-2-1-3-9-14)10-4-6-13-7-5-11-16-13/h13H,1-11H2
InChIKeyJKXLFOSLHAQXCV-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.81
Rot. Bonds4

About 1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile

1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile (PubChem CID 65376375) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile
PubChem CID65376375
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile
SMILESN#CC1(CCCC2CCCO2)CCCCC1
InChIInChI=1S/C14H23NO/c15-12-14(8-2-1-3-9-14)10-4-6-13-7-5-11-16-13/h13H,1-11H2
InChIKeyJKXLFOSLHAQXCV-UHFFFAOYSA-N
XLogP3.81
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile 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 1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile (CID 65376375) is 1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile is N#CC1(CCCC2CCCO2)CCCCC1.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile?
The InChIKey is JKXLFOSLHAQXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c15-12-14(8-2-1-3-9-14)10-4-6-13-7-5-11-16-13/h13H,1-11H2.
What are the key properties of 1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile?
1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile has a molecular weight of 221.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 65376375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).