1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one

C9H10O2 — CID 130029583

IUPAC1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCOC12C=C(C)C1C=CC2=O
InChIInChI=1S/C9H10O2/c1-6-5-9(11-2)7(6)3-4-8(9)10/h3-5,7H,1-2H3
InChIKeyPGZGGIGVNVQLIW-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.09
Rot. Bonds1

About 1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one

1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one (PubChem CID 130029583) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one.

Molecular Properties

Compound Name1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one
PubChem CID130029583
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCOC12C=C(C)C1C=CC2=O
InChIInChI=1S/C9H10O2/c1-6-5-9(11-2)7(6)3-4-8(9)10/h3-5,7H,1-2H3
InChIKeyPGZGGIGVNVQLIW-UHFFFAOYSA-N
XLogP1.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxybicyclo(3.2.0)hepta-3,6-dien-2-one
CID 134779
4-Methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 11819638
5-Methoxybicyclo[3,2,0)hepta-3,6-diene-2-one
CID 86250274
5-Acetyl-5-(2-methylprop-2-enyl)furan-2-one
CID 89028606
1-Methoxybicyclo[3.2.0]hepta-3,5-dien-2-one
CID 139683093
(1S,5R)-1-methoxybicyclo[3.2.0]hept-3-en-2-one
CID 10997098
(2-Oxo-1-bicyclo[3.2.0]hepta-3,6-dienyl) acetate
CID 12719135
(1S,5R)-1-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936374
(1R,5S)-1-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936375
1-Methoxy-7-methylbicyclo[4.2.1]nona-3,7-dien-2-one
CID 13572586
1-Ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 13674082
1-[(2S)-2-methylbutoxy]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 15498280

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one?
The IUPAC name of 1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one (CID 130029583) is 1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one.
What is the SMILES notation for 1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one?
The canonical SMILES for 1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one is COC12C=C(C)C1C=CC2=O.
What is the InChIKey of 1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one?
The InChIKey is PGZGGIGVNVQLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-6-5-9(11-2)7(6)3-4-8(9)10/h3-5,7H,1-2H3.
What are the key properties of 1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one?
1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one has a molecular weight of 150.18 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one is sourced from PubChem (CID 130029583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).