5-methoxybicyclo[3.2.0]hept-6-en-2-one

C8H10O2 — CID 130029366

IUPAC5-methoxybicyclo[3.2.0]hept-6-en-2-one
SMILESCOC12C=CC1C(=O)CC2
InChIInChI=1S/C8H10O2/c1-10-8-4-2-6(8)7(9)3-5-8/h2,4,6H,3,5H2,1H3
InChIKeyHHUOJCRSPXZRHG-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.92
Rot. Bonds1

About 5-methoxybicyclo[3.2.0]hept-6-en-2-one

5-methoxybicyclo[3.2.0]hept-6-en-2-one (PubChem CID 130029366) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-methoxybicyclo[3.2.0]hept-6-en-2-one.

Molecular Properties

Compound Name5-methoxybicyclo[3.2.0]hept-6-en-2-one
PubChem CID130029366
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5-methoxybicyclo[3.2.0]hept-6-en-2-one
SMILESCOC12C=CC1C(=O)CC2
InChIInChI=1S/C8H10O2/c1-10-8-4-2-6(8)7(9)3-5-8/h2,4,6H,3,5H2,1H3
InChIKeyHHUOJCRSPXZRHG-UHFFFAOYSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methoxybicyclo[3.2.0]hept-6-en-2-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

[(1R,5R)-4-oxo-1-bicyclo[3.2.0]hept-6-enyl] acetate
CID 14221313
1-Ethoxybicyclo[3.2.0]hept-6-en-2-one
CID 23269150
(1S,5S)-1-Ethoxybicyclo[3.2.0]hept-6-en-2-one
CID 71372559

Frequently Asked Questions

What is the IUPAC name of 5-methoxybicyclo[3.2.0]hept-6-en-2-one?
The IUPAC name of 5-methoxybicyclo[3.2.0]hept-6-en-2-one (CID 130029366) is 5-methoxybicyclo[3.2.0]hept-6-en-2-one.
What is the SMILES notation for 5-methoxybicyclo[3.2.0]hept-6-en-2-one?
The canonical SMILES for 5-methoxybicyclo[3.2.0]hept-6-en-2-one is COC12C=CC1C(=O)CC2.
What is the InChIKey of 5-methoxybicyclo[3.2.0]hept-6-en-2-one?
The InChIKey is HHUOJCRSPXZRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-10-8-4-2-6(8)7(9)3-5-8/h2,4,6H,3,5H2,1H3.
What are the key properties of 5-methoxybicyclo[3.2.0]hept-6-en-2-one?
5-methoxybicyclo[3.2.0]hept-6-en-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxybicyclo[3.2.0]hept-6-en-2-one is sourced from PubChem (CID 130029366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).