4-ethenyl-2-hydroxycyclohex-2-en-1-one

C8H10O2 — CID 101273085

IUPAC4-ethenyl-2-hydroxycyclohex-2-en-1-one
SMILESC=CC1C=C(O)C(=O)CC1
InChIInChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h2,5-6,10H,1,3-4H2
InChIKeyPDCJJJKWBGVFGL-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.59
Rot. Bonds1

About 4-ethenyl-2-hydroxycyclohex-2-en-1-one

4-ethenyl-2-hydroxycyclohex-2-en-1-one (PubChem CID 101273085) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-ethenyl-2-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name4-ethenyl-2-hydroxycyclohex-2-en-1-one
PubChem CID101273085
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4-ethenyl-2-hydroxycyclohex-2-en-1-one
SMILESC=CC1C=C(O)C(=O)CC1
InChIInChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h2,5-6,10H,1,3-4H2
InChIKeyPDCJJJKWBGVFGL-UHFFFAOYSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethenyl-2-hydroxycyclohex-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

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-hydroxycyclohex-2-en-1-one?
The IUPAC name of 4-ethenyl-2-hydroxycyclohex-2-en-1-one (CID 101273085) is 4-ethenyl-2-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for 4-ethenyl-2-hydroxycyclohex-2-en-1-one?
The canonical SMILES for 4-ethenyl-2-hydroxycyclohex-2-en-1-one is C=CC1C=C(O)C(=O)CC1.
What is the InChIKey of 4-ethenyl-2-hydroxycyclohex-2-en-1-one?
The InChIKey is PDCJJJKWBGVFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h2,5-6,10H,1,3-4H2.
What are the key properties of 4-ethenyl-2-hydroxycyclohex-2-en-1-one?
4-ethenyl-2-hydroxycyclohex-2-en-1-one has a molecular weight of 138.17 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 101273085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).