3-ethyl-4-methylspiro[4.4]non-3-en-2-one

C12H18O — CID 13181039

IUPAC3-ethyl-4-methylspiro[4.4]non-3-en-2-one
SMILESCCC1=C(C)C2(CCCC2)CC1=O
InChIInChI=1S/C12H18O/c1-3-10-9(2)12(8-11(10)13)6-4-5-7-12/h3-8H2,1-2H3
InChIKeyOBCUBELPBWKFTC-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.25
Rot. Bonds1

About 3-ethyl-4-methylspiro[4.4]non-3-en-2-one

3-ethyl-4-methylspiro[4.4]non-3-en-2-one (PubChem CID 13181039) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 3-ethyl-4-methylspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name3-ethyl-4-methylspiro[4.4]non-3-en-2-one
PubChem CID13181039
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name3-ethyl-4-methylspiro[4.4]non-3-en-2-one
SMILESCCC1=C(C)C2(CCCC2)CC1=O
InChIInChI=1S/C12H18O/c1-3-10-9(2)12(8-11(10)13)6-4-5-7-12/h3-8H2,1-2H3
InChIKeyOBCUBELPBWKFTC-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one
CID 173313130
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CID 67680666
2,3-dimethylspiro[4.5]dec-2-en-4-one
CID 14809990
(Z)-4-(3-ethyl-1,2,6,6-tetramethyl-4-oxocyclohex-2-en-1-yl)oxy-3-methylbut-2-enal
CID 131989556
(2Z,4E)-5-(3-ethyl-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienal
CID 118646229
4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
CID 118319054
4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one
CID 129144294
2-ethyl-2-azaspiro[4.4]nonan-1-one
CID 142262093
(4S,5S,7aS)-7a-(dimethylamino)-3-ethyl-5-hydroxy-4-methyl-4,5,6,7-tetrahydro-1H-inden-2-one
CID 100939621
7-ethyl-4-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]
CID 144593921
4-ethyl-5-hydroxycyclopent-4-ene-1,3-dione
CID 12729186
(2Z)-2-spiro[2.4]heptan-2-ylidenespiro[2.4]heptane
CID 11745392

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylspiro[4.4]non-3-en-2-one?
The IUPAC name of 3-ethyl-4-methylspiro[4.4]non-3-en-2-one (CID 13181039) is 3-ethyl-4-methylspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 3-ethyl-4-methylspiro[4.4]non-3-en-2-one?
The canonical SMILES for 3-ethyl-4-methylspiro[4.4]non-3-en-2-one is CCC1=C(C)C2(CCCC2)CC1=O.
What is the InChIKey of 3-ethyl-4-methylspiro[4.4]non-3-en-2-one?
The InChIKey is OBCUBELPBWKFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-3-10-9(2)12(8-11(10)13)6-4-5-7-12/h3-8H2,1-2H3.
What are the key properties of 3-ethyl-4-methylspiro[4.4]non-3-en-2-one?
3-ethyl-4-methylspiro[4.4]non-3-en-2-one has a molecular weight of 178.27 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 13181039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).