3-hydroxycyclohexene-1-carbonitrile

C7H9NO — CID 11147709

IUPAC3-hydroxycyclohexene-1-carbonitrile
SMILESN#CC1=CC(O)CCC1
InChIInChI=1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h4,7,9H,1-3H2
InChIKeyLKDIPHAFHPYCOL-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.98
Rot. Bonds

About 3-hydroxycyclohexene-1-carbonitrile

3-hydroxycyclohexene-1-carbonitrile (PubChem CID 11147709) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3-hydroxycyclohexene-1-carbonitrile.

Molecular Properties

Compound Name3-hydroxycyclohexene-1-carbonitrile
PubChem CID11147709
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3-hydroxycyclohexene-1-carbonitrile
SMILESN#CC1=CC(O)CCC1
InChIInChI=1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h4,7,9H,1-3H2
InChIKeyLKDIPHAFHPYCOL-UHFFFAOYSA-N
XLogP0.98
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-hydroxycyclohexene-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-hydroxycyclohexene-1-carbonitrile?
The IUPAC name of 3-hydroxycyclohexene-1-carbonitrile (CID 11147709) is 3-hydroxycyclohexene-1-carbonitrile.
What is the SMILES notation for 3-hydroxycyclohexene-1-carbonitrile?
The canonical SMILES for 3-hydroxycyclohexene-1-carbonitrile is N#CC1=CC(O)CCC1.
What is the InChIKey of 3-hydroxycyclohexene-1-carbonitrile?
The InChIKey is LKDIPHAFHPYCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h4,7,9H,1-3H2.
What are the key properties of 3-hydroxycyclohexene-1-carbonitrile?
3-hydroxycyclohexene-1-carbonitrile has a molecular weight of 123.15 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxycyclohexene-1-carbonitrile is sourced from PubChem (CID 11147709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).