3-ethyl-1-oxaspiro[4.4]non-3-en-2-one

C10H14O2 — CID 25215154

IUPAC3-ethyl-1-oxaspiro[4.4]non-3-en-2-one
SMILESCCC1=CC2(CCCC2)OC1=O
InChIInChI=1S/C10H14O2/c1-2-8-7-10(12-9(8)11)5-3-4-6-10/h7H,2-6H2,1H3
InChIKeyGTMFKFXVPFQFED-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.19
Rot. Bonds1

About 3-ethyl-1-oxaspiro[4.4]non-3-en-2-one

3-ethyl-1-oxaspiro[4.4]non-3-en-2-one (PubChem CID 25215154) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-ethyl-1-oxaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name3-ethyl-1-oxaspiro[4.4]non-3-en-2-one
PubChem CID25215154
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-ethyl-1-oxaspiro[4.4]non-3-en-2-one
SMILESCCC1=CC2(CCCC2)OC1=O
InChIInChI=1S/C10H14O2/c1-2-8-7-10(12-9(8)11)5-3-4-6-10/h7H,2-6H2,1H3
InChIKeyGTMFKFXVPFQFED-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-oxaspiro[4.4]non-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

plakilactone C
CID 71451878
(5S)-4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
CID 21668635
(5R)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-one
CID 11586873
(5S)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-one
CID 162856502
Agn-PC-03E5J0
CID 11126831
3-Methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 10942809
3-(2-Methylpropyl)furan-2,5-dione
CID 14687973
1-Oxaspiro[4.4]non-3-en-2-one
CID 11073494
3-Butan-2-ylfuran-2,5-dione
CID 140256512
methyl (E)-3-(2-butyl-4,5,5-trimethylfuran-2-yl)prop-2-enoate
CID 11139626
1-Cyclopentene-1-carboxylic acid, 3-methyl-, 1,1-dimethylethyl ester
CID 11275400
3-Propan-2-yl-1-oxaspiro[4.5]dec-3-en-2-one
CID 85770448

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-oxaspiro[4.4]non-3-en-2-one?
The IUPAC name of 3-ethyl-1-oxaspiro[4.4]non-3-en-2-one (CID 25215154) is 3-ethyl-1-oxaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 3-ethyl-1-oxaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 3-ethyl-1-oxaspiro[4.4]non-3-en-2-one is CCC1=CC2(CCCC2)OC1=O.
What is the InChIKey of 3-ethyl-1-oxaspiro[4.4]non-3-en-2-one?
The InChIKey is GTMFKFXVPFQFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-8-7-10(12-9(8)11)5-3-4-6-10/h7H,2-6H2,1H3.
What are the key properties of 3-ethyl-1-oxaspiro[4.4]non-3-en-2-one?
3-ethyl-1-oxaspiro[4.4]non-3-en-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-oxaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 25215154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).