2-(2-hydroxycyclohexyl)acetonitrile

C8H13NO — CID 10630569

IUPAC2-(2-hydroxycyclohexyl)acetonitrile
SMILESN#CCC1CCCCC1O
InChIInChI=1S/C8H13NO/c9-6-5-7-3-1-2-4-8(7)10/h7-8,10H,1-5H2
InChIKeyGAFNITUKNVGWAR-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.45
Rot. Bonds1

About 2-(2-hydroxycyclohexyl)acetonitrile

2-(2-hydroxycyclohexyl)acetonitrile (PubChem CID 10630569) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(2-hydroxycyclohexyl)acetonitrile.

Molecular Properties

Compound Name2-(2-hydroxycyclohexyl)acetonitrile
PubChem CID10630569
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(2-hydroxycyclohexyl)acetonitrile
SMILESN#CCC1CCCCC1O
InChIInChI=1S/C8H13NO/c9-6-5-7-3-1-2-4-8(7)10/h7-8,10H,1-5H2
InChIKeyGAFNITUKNVGWAR-UHFFFAOYSA-N
XLogP1.45
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclohexyl)acetonitrile?
The IUPAC name of 2-(2-hydroxycyclohexyl)acetonitrile (CID 10630569) is 2-(2-hydroxycyclohexyl)acetonitrile.
What is the SMILES notation for 2-(2-hydroxycyclohexyl)acetonitrile?
The canonical SMILES for 2-(2-hydroxycyclohexyl)acetonitrile is N#CCC1CCCCC1O.
What is the InChIKey of 2-(2-hydroxycyclohexyl)acetonitrile?
The InChIKey is GAFNITUKNVGWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-6-5-7-3-1-2-4-8(7)10/h7-8,10H,1-5H2.
What are the key properties of 2-(2-hydroxycyclohexyl)acetonitrile?
2-(2-hydroxycyclohexyl)acetonitrile has a molecular weight of 139.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclohexyl)acetonitrile is sourced from PubChem (CID 10630569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).