1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile

C13H21NO — CID 65378250

IUPAC1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile
SMILESN#CC1(CCC2CCCO2)CCCCC1
InChIInChI=1S/C13H21NO/c14-11-13(7-2-1-3-8-13)9-6-12-5-4-10-15-12/h12H,1-10H2
InChIKeyVDDWOZUDCYFHAM-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.42
Rot. Bonds3

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

1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile (PubChem CID 65378250) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile
PubChem CID65378250
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile
SMILESN#CC1(CCC2CCCO2)CCCCC1
InChIInChI=1S/C13H21NO/c14-11-13(7-2-1-3-8-13)9-6-12-5-4-10-15-12/h12H,1-10H2
InChIKeyVDDWOZUDCYFHAM-UHFFFAOYSA-N
XLogP3.42
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(oxolan-2-yl)ethyl]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-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile (CID 65378250) is 1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile is N#CC1(CCC2CCCO2)CCCCC1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile?
The InChIKey is VDDWOZUDCYFHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c14-11-13(7-2-1-3-8-13)9-6-12-5-4-10-15-12/h12H,1-10H2.
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile?
1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 65378250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).