7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one

C9H10O2 — CID 45090853

IUPAC7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCCOC1=CC2C=CC(=O)C12
InChIInChI=1S/C9H10O2/c1-2-11-8-5-6-3-4-7(10)9(6)8/h3-6,9H,2H2,1H3
InChIKeyTTXCULNAPPEQCJ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.29
Rot. Bonds2

About 7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one

7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one (PubChem CID 45090853) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one.

Molecular Properties

Compound Name7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one
PubChem CID45090853
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCCOC1=CC2C=CC(=O)C12
InChIInChI=1S/C9H10O2/c1-2-11-8-5-6-3-4-7(10)9(6)8/h3-6,9H,2H2,1H3
InChIKeyTTXCULNAPPEQCJ-UHFFFAOYSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

3-Ethoxy-spiro[3.4]octa-2,6-dien-1-one
CID 21919660
(1R,5R)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577165
ethyl (2R)-2-methyl-5-oxocyclopent-3-ene-1-carboxylate
CID 11457901
7-Methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936376
Ethyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate
CID 10419559
Methyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate
CID 11229320
7-Methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one
CID 11480785
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

Frequently Asked Questions

What is the IUPAC name of 7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one?
The IUPAC name of 7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one (CID 45090853) is 7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one.
What is the SMILES notation for 7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one?
The canonical SMILES for 7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one is CCOC1=CC2C=CC(=O)C12.
What is the InChIKey of 7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one?
The InChIKey is TTXCULNAPPEQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-11-8-5-6-3-4-7(10)9(6)8/h3-6,9H,2H2,1H3.
What are the key properties of 7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one?
7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one has a molecular weight of 150.18 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one is sourced from PubChem (CID 45090853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).