2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile

C9H13NO — CID 12571344

IUPAC2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile
SMILESCC(C#N)C1(O)C=CCCC1
InChIInChI=1S/C9H13NO/c1-8(7-10)9(11)5-3-2-4-6-9/h3,5,8,11H,2,4,6H2,1H3
InChIKeyHDARIIAVUVIUOA-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.62
Rot. Bonds1

About 2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile

2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile (PubChem CID 12571344) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile
PubChem CID12571344
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile
SMILESCC(C#N)C1(O)C=CCCC1
InChIInChI=1S/C9H13NO/c1-8(7-10)9(11)5-3-2-4-6-9/h3,5,8,11H,2,4,6H2,1H3
InChIKeyHDARIIAVUVIUOA-UHFFFAOYSA-N
XLogP1.62
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol
CID 163187984
1-(Propan-2-yl)cyclohex-2-en-1-ol
CID 13524408
(1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol
CID 170847979
4-Methyl-1-(propan-2-yl)cyclohex-2-en-1-ol
CID 21552174
(1S,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol
CID 69410540
2-(3-Hydroxy-3,5,5-trimethylcyclohexen-1-yl)propanenitrile
CID 12015136
(1S,4S)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol
CID 69228628
2-(6-Hydroxy-6-methylcyclohexa-2,4-dien-1-yl)acetonitrile
CID 69534784
2-[(1S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl]acetonitrile
CID 69534832
2-[(1R,4R)-3-(3-hydroxy-3-methyloct-1-enyl)-2-bicyclo[2.2.1]hept-5-enyl]acetonitrile
CID 70623400
2-(1-Hydroxy-3,5,5-trimethylcyclohex-2-en-1-yl)propanenitrile
CID 124113451
2-(1-Hydroxy-3,5,5-trimethylcyclohex-2-en-1-yl)hexanenitrile
CID 124113455

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile?
The IUPAC name of 2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile (CID 12571344) is 2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile.
What is the SMILES notation for 2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile?
The canonical SMILES for 2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile is CC(C#N)C1(O)C=CCCC1.
What is the InChIKey of 2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile?
The InChIKey is HDARIIAVUVIUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-8(7-10)9(11)5-3-2-4-6-9/h3,5,8,11H,2,4,6H2,1H3.
What are the key properties of 2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile?
2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile has a molecular weight of 151.21 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohex-2-en-1-yl)propanenitrile is sourced from PubChem (CID 12571344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).