3-cyclohexyl-3-hydroxybutanenitrile

C10H17NO — CID 67506068

IUPAC3-cyclohexyl-3-hydroxybutanenitrile
SMILESCC(O)(CC#N)C1CCCCC1
InChIInChI=1S/C10H17NO/c1-10(12,7-8-11)9-5-3-2-4-6-9/h9,12H,2-7H2,1H3
InChIKeySGLQTZYBOBJCGG-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.23
Rot. Bonds2

About 3-cyclohexyl-3-hydroxybutanenitrile

3-cyclohexyl-3-hydroxybutanenitrile (PubChem CID 67506068) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-cyclohexyl-3-hydroxybutanenitrile.

Molecular Properties

Compound Name3-cyclohexyl-3-hydroxybutanenitrile
PubChem CID67506068
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-cyclohexyl-3-hydroxybutanenitrile
SMILESCC(O)(CC#N)C1CCCCC1
InChIInChI=1S/C10H17NO/c1-10(12,7-8-11)9-5-3-2-4-6-9/h9,12H,2-7H2,1H3
InChIKeySGLQTZYBOBJCGG-UHFFFAOYSA-N
XLogP2.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-3-hydroxybutanenitrile 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-cyclohexyl-3-hydroxybutanenitrile?
The IUPAC name of 3-cyclohexyl-3-hydroxybutanenitrile (CID 67506068) is 3-cyclohexyl-3-hydroxybutanenitrile.
What is the SMILES notation for 3-cyclohexyl-3-hydroxybutanenitrile?
The canonical SMILES for 3-cyclohexyl-3-hydroxybutanenitrile is CC(O)(CC#N)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-hydroxybutanenitrile?
The InChIKey is SGLQTZYBOBJCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(12,7-8-11)9-5-3-2-4-6-9/h9,12H,2-7H2,1H3.
What are the key properties of 3-cyclohexyl-3-hydroxybutanenitrile?
3-cyclohexyl-3-hydroxybutanenitrile has a molecular weight of 167.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-hydroxybutanenitrile is sourced from PubChem (CID 67506068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).