7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one

C9H10O2 — CID 130026791

IUPAC7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCOC1=CC2C(C)=CC(=O)C12
InChIInChI=1S/C9H10O2/c1-5-3-7(10)9-6(5)4-8(9)11-2/h3-4,6,9H,1-2H3
InChIKeyINHRAGGKDAGOPK-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.29
Rot. Bonds1

About 7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one

7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one (PubChem CID 130026791) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one.

Molecular Properties

Compound Name7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one
PubChem CID130026791
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCOC1=CC2C(C)=CC(=O)C12
InChIInChI=1S/C9H10O2/c1-5-3-7(10)9-6(5)4-8(9)11-2/h3-4,6,9H,1-2H3
InChIKeyINHRAGGKDAGOPK-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-3-methoxy-5-propylcyclopent-2-en-1-one
CID 135080642
(1R,5R)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577165
3-Methoxy-2-methyl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 134877714
3-Methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 134894905
Methoxy bicyclo[3.2.0]heptadienone
CID 137796795
7-Methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936376
3-Methoxy-5-propan-2-ylcyclopent-2-en-1-one
CID 21676995
4-Acetyl-3-methoxycyclopent-2-en-1-one
CID 141050009
1-(2-Methoxycyclopent-2-en-1-yl)ethanone
CID 141082824
6-Methoxy-4-oxobicyclo[3.2.0]hepta-2,6-diene-2-carbonitrile
CID 153743575
7-Methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one
CID 11480785
3-Methoxy-5-propyl-2-cyclopenten-1-one
CID 14068211

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one?
The IUPAC name of 7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one (CID 130026791) is 7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one.
What is the SMILES notation for 7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one?
The canonical SMILES for 7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one is COC1=CC2C(C)=CC(=O)C12.
What is the InChIKey of 7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one?
The InChIKey is INHRAGGKDAGOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-5-3-7(10)9-6(5)4-8(9)11-2/h3-4,6,9H,1-2H3.
What are the key properties of 7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one?
7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one has a molecular weight of 150.18 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methylbicyclo[3.2.0]hepta-3,6-dien-2-one is sourced from PubChem (CID 130026791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).