3-cyclohexyl-2-hydroxypropanenitrile

C9H15NO — CID 11423701

IUPAC3-cyclohexyl-2-hydroxypropanenitrile
SMILESN#CC(O)CC1CCCCC1
InChIInChI=1S/C9H15NO/c10-7-9(11)6-8-4-2-1-3-5-8/h8-9,11H,1-6H2
InChIKeyWOFFVXOLULOAAM-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.84
Rot. Bonds2

About 3-cyclohexyl-2-hydroxypropanenitrile

3-cyclohexyl-2-hydroxypropanenitrile (PubChem CID 11423701) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-cyclohexyl-2-hydroxypropanenitrile.

Molecular Properties

Compound Name3-cyclohexyl-2-hydroxypropanenitrile
PubChem CID11423701
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name3-cyclohexyl-2-hydroxypropanenitrile
SMILESN#CC(O)CC1CCCCC1
InChIInChI=1S/C9H15NO/c10-7-9(11)6-8-4-2-1-3-5-8/h8-9,11H,1-6H2
InChIKeyWOFFVXOLULOAAM-UHFFFAOYSA-N
XLogP1.84
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-hydroxypropanenitrile?
The IUPAC name of 3-cyclohexyl-2-hydroxypropanenitrile (CID 11423701) is 3-cyclohexyl-2-hydroxypropanenitrile.
What is the SMILES notation for 3-cyclohexyl-2-hydroxypropanenitrile?
The canonical SMILES for 3-cyclohexyl-2-hydroxypropanenitrile is N#CC(O)CC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-hydroxypropanenitrile?
The InChIKey is WOFFVXOLULOAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c10-7-9(11)6-8-4-2-1-3-5-8/h8-9,11H,1-6H2.
What are the key properties of 3-cyclohexyl-2-hydroxypropanenitrile?
3-cyclohexyl-2-hydroxypropanenitrile has a molecular weight of 153.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-hydroxypropanenitrile is sourced from PubChem (CID 11423701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).