1-ethylbicyclo[3.2.1]oct-6-en-2-one

C10H14O — CID 130038318

IUPAC1-ethylbicyclo[3.2.1]oct-6-en-2-one
SMILESCCC12C=CC(CCC1=O)C2
InChIInChI=1S/C10H14O/c1-2-10-6-5-8(7-10)3-4-9(10)11/h5-6,8H,2-4,7H2,1H3
InChIKeyGESAJYFTMLKEPS-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.32
Rot. Bonds1

About 1-ethylbicyclo[3.2.1]oct-6-en-2-one

1-ethylbicyclo[3.2.1]oct-6-en-2-one (PubChem CID 130038318) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-ethylbicyclo[3.2.1]oct-6-en-2-one.

Molecular Properties

Compound Name1-ethylbicyclo[3.2.1]oct-6-en-2-one
PubChem CID130038318
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-ethylbicyclo[3.2.1]oct-6-en-2-one
SMILESCCC12C=CC(CCC1=O)C2
InChIInChI=1S/C10H14O/c1-2-10-6-5-8(7-10)3-4-9(10)11/h5-6,8H,2-4,7H2,1H3
InChIKeyGESAJYFTMLKEPS-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,5S)-1-ethyl-5-methylbicyclo[3.2.2]non-6-en-2-one
CID 131196011
2-ethyl-2-methylcyclopentane-1,3-dione
CID 574386
4-ethyl-2,2-dimethylcyclohexane-1,3-dione
CID 67984878
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene
CID 54044423
3-ethyl-2,2-dimethylcyclopentan-1-one
CID 89158762
2,2-diethylcyclopentane-1,3-dione
CID 10464532
4-ethylbicyclo[2.2.1]hept-5-en-2-one
CID 150263505
8a-ethyl-3,4,4a,5,6,7-hexahydro-2H-naphthalene-1,8-dione
CID 586685
2,2-dichloro-4-propylcyclohexan-1-one
CID 143443696
(3aR,7aS)-7a-ethyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
CID 102589367
1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 87279109

Frequently Asked Questions

What is the IUPAC name of 1-ethylbicyclo[3.2.1]oct-6-en-2-one?
The IUPAC name of 1-ethylbicyclo[3.2.1]oct-6-en-2-one (CID 130038318) is 1-ethylbicyclo[3.2.1]oct-6-en-2-one.
What is the SMILES notation for 1-ethylbicyclo[3.2.1]oct-6-en-2-one?
The canonical SMILES for 1-ethylbicyclo[3.2.1]oct-6-en-2-one is CCC12C=CC(CCC1=O)C2.
What is the InChIKey of 1-ethylbicyclo[3.2.1]oct-6-en-2-one?
The InChIKey is GESAJYFTMLKEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-10-6-5-8(7-10)3-4-9(10)11/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 1-ethylbicyclo[3.2.1]oct-6-en-2-one?
1-ethylbicyclo[3.2.1]oct-6-en-2-one has a molecular weight of 150.22 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylbicyclo[3.2.1]oct-6-en-2-one is sourced from PubChem (CID 130038318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).