7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one

C11H14O2 — CID 11480785

IUPAC7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCOC1=CC2(C(C)C)C=CC(=O)C12
InChIInChI=1S/C11H14O2/c1-7(2)11-5-4-8(12)10(11)9(6-11)13-3/h4-7,10H,1-3H3
InChIKeyJXDRQYBNTGWWFH-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.93
Rot. Bonds2

About 7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one

7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one (PubChem CID 11480785) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one.

Molecular Properties

Compound Name7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one
PubChem CID11480785
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCOC1=CC2(C(C)C)C=CC(=O)C12
InChIInChI=1S/C11H14O2/c1-7(2)11-5-4-8(12)10(11)9(6-11)13-3/h4-7,10H,1-3H3
InChIKeyJXDRQYBNTGWWFH-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577165
7-Methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936376
9-Methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione
CID 18545131
7-Ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 45090853
(4S,5S)-3-Methoxy-5-methyl-4-(prop-2-en-1-yl)cyclopent-2-en-1-one
CID 71411840
3-Methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 85705106
7-(2-Methylbutoxy)bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 85778934
7-[(2S)-2-methylbutoxy]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 101012189
7-Propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 101069563
(1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577164
(1R,5R)-7-[(2S)-2-methylbutoxy]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577167
(1S,5S)-7-[(2S)-2-methylbutoxy]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577169

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one?
The IUPAC name of 7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one (CID 11480785) is 7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one.
What is the SMILES notation for 7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one?
The canonical SMILES for 7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one is COC1=CC2(C(C)C)C=CC(=O)C12.
What is the InChIKey of 7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one?
The InChIKey is JXDRQYBNTGWWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7(2)11-5-4-8(12)10(11)9(6-11)13-3/h4-7,10H,1-3H3.
What are the key properties of 7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one?
7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one is sourced from PubChem (CID 11480785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).