(R)-2-Hydroxy-2-cyclohexylacetonitrile

C8H13NO — CID 10887989

IUPAC(2R)-2-cyclohexyl-2-hydroxyacetonitrile
SMILESC1CCC(CC1)[C@H](C#N)O
InChIInChI=1S/C8H13NO/c9-6-8(10)7-4-2-1-3-5-7/h7-8,10H,1-5H2/t8-/m0/s1
InChIKeyJLNKJTJSIQKWEU-QMMMGPOBSA-N
MW139.19 g/mol
LogP1.70
Rot. Bonds1

About (R)-2-Hydroxy-2-cyclohexylacetonitrile

(R)-2-Hydroxy-2-cyclohexylacetonitrile (PubChem CID 10887989) has the molecular formula C8H13NO and a molecular weight of 139.19 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-hydroxyacetonitrile.

Molecular Properties

Compound Name(R)-2-Hydroxy-2-cyclohexylacetonitrile
PubChem CID10887989
Molecular FormulaC8H13NO
Molecular Weight139.19 g/mol
Exact Mass139.10
IUPAC Name(2R)-2-cyclohexyl-2-hydroxyacetonitrile
SMILESC1CCC(CC1)[C@H](C#N)O
InChIInChI=1S/C8H13NO/c9-6-8(10)7-4-2-1-3-5-7/h7-8,10H,1-5H2/t8-/m0/s1
InChIKeyJLNKJTJSIQKWEU-QMMMGPOBSA-N
XLogP1.70
TPSA44.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity141

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

Analyze (R)-2-Hydroxy-2-cyclohexylacetonitrile 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 (R)-2-Hydroxy-2-cyclohexylacetonitrile?
The IUPAC name of (R)-2-Hydroxy-2-cyclohexylacetonitrile (CID 10887989) is (2R)-2-cyclohexyl-2-hydroxyacetonitrile.
What is the SMILES notation for (R)-2-Hydroxy-2-cyclohexylacetonitrile?
The canonical SMILES for (R)-2-Hydroxy-2-cyclohexylacetonitrile is C1CCC(CC1)[C@H](C#N)O.
What is the InChIKey of (R)-2-Hydroxy-2-cyclohexylacetonitrile?
The InChIKey is JLNKJTJSIQKWEU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO/c9-6-8(10)7-4-2-1-3-5-7/h7-8,10H,1-5H2/t8-/m0/s1.
What are the key properties of (R)-2-Hydroxy-2-cyclohexylacetonitrile?
(R)-2-Hydroxy-2-cyclohexylacetonitrile has a molecular weight of 139.19 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-Hydroxy-2-cyclohexylacetonitrile is sourced from PubChem (CID 10887989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).