2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one

C9H12O2 — CID 86084588

IUPAC2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1CCC=C(O)C1=O
InChIInChI=1S/C9H12O2/c1-2-4-7-5-3-6-8(10)9(7)11/h2,6-7,10H,1,3-5H2
InChIKeyUDMHQLVMUVOQKH-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.98
Rot. Bonds2

About 2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one

2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one (PubChem CID 86084588) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one
PubChem CID86084588
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1CCC=C(O)C1=O
InChIInChI=1S/C9H12O2/c1-2-4-7-5-3-6-8(10)9(7)11/h2,6-7,10H,1,3-5H2
InChIKeyUDMHQLVMUVOQKH-UHFFFAOYSA-N
XLogP1.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one 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

2-hydroxy-4-prop-2-enylcyclohex-2-en-1-one
CID 45082974
1-but-3-en-2-yl-5-prop-2-enylcyclopentene;prop-1-ene
CID 143208222
(5S)-5-prop-2-enylcycloheptane-1,4-dione
CID 16724096
(3R)-1-methyl-3-prop-2-enylpyrrolidin-2-one
CID 129366009
(9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione
CID 69342863
(2E)-2-(dimethylaminomethylidene)-4-prop-2-enylcyclohexane-1,3-dione
CID 66669177
5-methylidene-3-prop-2-enyloxolan-2-one
CID 59050416
4-ethenyl-2-hydroxycyclohex-2-en-1-one
CID 101273085
6-prop-2-enylcyclohexa-1,5-dien-1-ol
CID 129210749
2-prop-2-enylcyclopent-4-ene-1,3-dione
CID 12877518
2-[(2-ethenylcyclopent-2-en-1-yl)methyl]prop-2-enal
CID 10464632
(5S)-1-nitro-5-prop-2-enylcyclohexene
CID 175808843

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one?
The IUPAC name of 2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one (CID 86084588) is 2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one.
What is the SMILES notation for 2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one?
The canonical SMILES for 2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one is C=CCC1CCC=C(O)C1=O.
What is the InChIKey of 2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one?
The InChIKey is UDMHQLVMUVOQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-4-7-5-3-6-8(10)9(7)11/h2,6-7,10H,1,3-5H2.
What are the key properties of 2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one?
2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one has a molecular weight of 152.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one is sourced from PubChem (CID 86084588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).