1-ethoxybicyclo[3.2.0]hept-6-en-2-one

C9H12O2 — CID 23269150

IUPAC1-ethoxybicyclo[3.2.0]hept-6-en-2-one
SMILESCCOC12C=CC1CCC2=O
InChIInChI=1S/C9H12O2/c1-2-11-9-6-5-7(9)3-4-8(9)10/h5-7H,2-4H2,1H3
InChIKeyDKIMVIVIWGSKAJ-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.31
Rot. Bonds2

About 1-ethoxybicyclo[3.2.0]hept-6-en-2-one

1-ethoxybicyclo[3.2.0]hept-6-en-2-one (PubChem CID 23269150) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-ethoxybicyclo[3.2.0]hept-6-en-2-one.

Molecular Properties

Compound Name1-ethoxybicyclo[3.2.0]hept-6-en-2-one
PubChem CID23269150
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-ethoxybicyclo[3.2.0]hept-6-en-2-one
SMILESCCOC12C=CC1CCC2=O
InChIInChI=1S/C9H12O2/c1-2-11-9-6-5-7(9)3-4-8(9)10/h5-7H,2-4H2,1H3
InChIKeyDKIMVIVIWGSKAJ-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.31
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

2-Methoxybicyclo[3.2.0]hept-6-en-3-one
CID 14906869
(1S,5S)-1-Ethoxybicyclo[3.2.0]hept-6-en-2-one
CID 71372559
(1R,2S,5S)-2-methoxybicyclo[3.2.0]hept-6-en-3-one
CID 101600527
(1R,2R,5S)-2-methoxybicyclo[3.2.0]hept-6-en-3-one
CID 101600528
(5R)-6-oxaspiro[4.5]dec-9-en-4-one
CID 102184297
(5R)-6-oxaspiro[4.6]undec-10-en-4-one
CID 102184298
5-Methoxybicyclo[3.2.0]hept-6-en-2-one
CID 130029366
(1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one
CID 131071196

Frequently Asked Questions

What is the IUPAC name of 1-ethoxybicyclo[3.2.0]hept-6-en-2-one?
The IUPAC name of 1-ethoxybicyclo[3.2.0]hept-6-en-2-one (CID 23269150) is 1-ethoxybicyclo[3.2.0]hept-6-en-2-one.
What is the SMILES notation for 1-ethoxybicyclo[3.2.0]hept-6-en-2-one?
The canonical SMILES for 1-ethoxybicyclo[3.2.0]hept-6-en-2-one is CCOC12C=CC1CCC2=O.
What is the InChIKey of 1-ethoxybicyclo[3.2.0]hept-6-en-2-one?
The InChIKey is DKIMVIVIWGSKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-11-9-6-5-7(9)3-4-8(9)10/h5-7H,2-4H2,1H3.
What are the key properties of 1-ethoxybicyclo[3.2.0]hept-6-en-2-one?
1-ethoxybicyclo[3.2.0]hept-6-en-2-one has a molecular weight of 152.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxybicyclo[3.2.0]hept-6-en-2-one is sourced from PubChem (CID 23269150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).