6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one

C11H12O2 — CID 24752658

IUPAC6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
SMILESCC1=CC2=C(CCC2)C2(CO2)C1=O
InChIInChI=1S/C11H12O2/c1-7-5-8-3-2-4-9(8)11(6-13-11)10(7)12/h5H,2-4,6H2,1H3
InChIKeyFNWKJXLSZOZBDP-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.76
Rot. Bonds

About 6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one

6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one (PubChem CID 24752658) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one.

Molecular Properties

Compound Name6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
PubChem CID24752658
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
SMILESCC1=CC2=C(CCC2)C2(CO2)C1=O
InChIInChI=1S/C11H12O2/c1-7-5-8-3-2-4-9(8)11(6-13-11)10(7)12/h5H,2-4,6H2,1H3
InChIKeyFNWKJXLSZOZBDP-UHFFFAOYSA-N
XLogP1.76
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one
CID 11084410
5,6-Dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one
CID 15004559
(1E)-5,6-dimethoxy-1-pentylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one
CID 15004560
6,8-Dimethyl-5-prop-2-enyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 16112349
spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
CID 24752228
2-(Cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one
CID 139248711
(2S,3R)-2-hexyl-5-propyl-1-oxaspiro[2.4]hept-4-en-6-one
CID 71507136
Spiro[5,6,7,8-tetrahydronaphthalene-2,2'-oxirane]-1-one
CID 11355803
(3R)-5-cyclohexyl-8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 60104833
(3R)-8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 60104840
(3R)-5-tert-butyl-8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 60104843
2-(Cyclohexen-1-yl)-2-methylfuran-3-one
CID 68555811

Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
The IUPAC name of 6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one (CID 24752658) is 6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one.
What is the SMILES notation for 6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
The canonical SMILES for 6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one is CC1=CC2=C(CCC2)C2(CO2)C1=O.
What is the InChIKey of 6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
The InChIKey is FNWKJXLSZOZBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-7-5-8-3-2-4-9(8)11(6-13-11)10(7)12/h5H,2-4,6H2,1H3.
What are the key properties of 6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one has a molecular weight of 176.22 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one is sourced from PubChem (CID 24752658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).