1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone

C11H16O2 — CID 123951552

IUPAC1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone
SMILESCOC12CC1CC(C)C=C2C(C)=O
InChIInChI=1S/C11H16O2/c1-7-4-9-6-11(9,13-3)10(5-7)8(2)12/h5,7,9H,4,6H2,1-3H3
InChIKeyIZTQDSBFEOCXKR-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.95
Rot. Bonds2

About 1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone

1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone (PubChem CID 123951552) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone.

Molecular Properties

Compound Name1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone
PubChem CID123951552
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone
SMILESCOC12CC1CC(C)C=C2C(C)=O
InChIInChI=1S/C11H16O2/c1-7-4-9-6-11(9,13-3)10(5-7)8(2)12/h5,7,9H,4,6H2,1-3H3
InChIKeyIZTQDSBFEOCXKR-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone 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

4-Butyl-4-methoxy-2-methylcyclohex-2-en-1-one
CID 134922463
methyl (1R,7S)-8,8-dimethyl-5-oxobicyclo[5.1.0]oct-3-ene-4-carboxylate
CID 9990623
3-Butyl-5-methanidylidene-4-methoxy-4-methylcyclopent-2-en-1-one;chloropalladium(1+)
CID 9997052
3-Butyl-4-methoxy-4-methyl-5-methylidenecyclopent-2-en-1-one
CID 9997053
4-Methoxy-2,4-dimethyl-5-methylidene-3-octylcyclopent-2-en-1-one
CID 10024222
[(Z)-(3-butyl-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
CID 10029226
3-Butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+)
CID 10043388
3-Butyl-4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one
CID 10043389
[(Z)-(3-butyl-2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
CID 10256148
3-Butyl-5-ethylidene-4-methoxy-4-methylcyclopent-2-en-1-one
CID 10337851
[(1Z)-1-(3-butyl-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)ethyl]mercury
CID 10414348
6-Methoxy-1,2,3,6,7,8,9,9a-octahydrobenzo[7]annulen-4-one
CID 11435495

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone?
The IUPAC name of 1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone (CID 123951552) is 1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone.
What is the SMILES notation for 1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone?
The canonical SMILES for 1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone is COC12CC1CC(C)C=C2C(C)=O.
What is the InChIKey of 1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone?
The InChIKey is IZTQDSBFEOCXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-4-9-6-11(9,13-3)10(5-7)8(2)12/h5,7,9H,4,6H2,1-3H3.
What are the key properties of 1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone?
1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone has a molecular weight of 180.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone is sourced from PubChem (CID 123951552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).