3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one

C10H12O2 — CID 10419519

IUPAC3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one
SMILESC=C1CC2(C=CCCC2)OC1=O
InChIInChI=1S/C10H12O2/c1-8-7-10(12-9(8)11)5-3-2-4-6-10/h3,5H,1-2,4,6-7H2
InChIKeyFDBNAKJNZUTGPC-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.97
Rot. Bonds

About 3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one

3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one (PubChem CID 10419519) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one.

Molecular Properties

Compound Name3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one
PubChem CID10419519
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one
SMILESC=C1CC2(C=CCCC2)OC1=O
InChIInChI=1S/C10H12O2/c1-8-7-10(12-9(8)11)5-3-2-4-6-10/h3,5H,1-2,4,6-7H2
InChIKeyFDBNAKJNZUTGPC-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-Oxaspiro(4.5)decan-2-one, 3-methylene-
CID 579763
(3Z)-3-butylidene-3a,4,5,6-tetrahydro-2-benzofuran-1-one
CID 91747285
3a,4,5,6-Tetrahydro-2-benzofuran-1,3-dione
CID 13321638
3-Methylene-1-oxaspiro[4.4]nonan-2-one
CID 15321489
Methyl-5,6-dihydro-4h-isobenzofuran-1,3-dione
CID 54116534
5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one
CID 134865751
Tetrahydrophthalide
CID 11018934
1-Oxaspiro[4.5]dec-6-en-8-one
CID 13511803
3-Methylene-3,3a,4,5,6,8a-hexahydro-2H-cyclohepta(b)furan-2-one
CID 331562
5-Methyl-tetrahydroisobenzofuran-1,3-dione
CID 22445707
6-Fluoro-3-methylidene-1-oxaspiro[4.5]decan-2-one
CID 89215796
8-Methyl-1-oxaspiro[4.5]dec-7-en-2-one
CID 10997405

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one?
The IUPAC name of 3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one (CID 10419519) is 3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one.
What is the SMILES notation for 3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one?
The canonical SMILES for 3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one is C=C1CC2(C=CCCC2)OC1=O.
What is the InChIKey of 3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one?
The InChIKey is FDBNAKJNZUTGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-8-7-10(12-9(8)11)5-3-2-4-6-10/h3,5H,1-2,4,6-7H2.
What are the key properties of 3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one?
3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one has a molecular weight of 164.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-oxaspiro[4.5]dec-6-en-2-one is sourced from PubChem (CID 10419519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).