3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile

C10H17NO — CID 73030503

IUPAC3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile
SMILESCC1C(C)(O)CCCC1(C)C#N
InChIInChI=1S/C10H17NO/c1-8-9(2,7-11)5-4-6-10(8,3)12/h8,12H,4-6H2,1-3H3
InChIKeySTIKMSVLXLOHLE-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.09
Rot. Bonds

About 3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile

3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile (PubChem CID 73030503) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile
PubChem CID73030503
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile
SMILESCC1C(C)(O)CCCC1(C)C#N
InChIInChI=1S/C10H17NO/c1-8-9(2,7-11)5-4-6-10(8,3)12/h8,12H,4-6H2,1-3H3
InChIKeySTIKMSVLXLOHLE-UHFFFAOYSA-N
XLogP2.09
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-1,2,3-trimethylcyclohexane-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 3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile?
The IUPAC name of 3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile (CID 73030503) is 3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile?
The canonical SMILES for 3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile is CC1C(C)(O)CCCC1(C)C#N.
What is the InChIKey of 3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile?
The InChIKey is STIKMSVLXLOHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-9(2,7-11)5-4-6-10(8,3)12/h8,12H,4-6H2,1-3H3.
What are the key properties of 3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile?
3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile has a molecular weight of 167.25 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 73030503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).