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

C10H10O2 — CID 24752228

IUPACspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
SMILESO=C1C=CC2=C(CCC2)C12CO2
InChIInChI=1S/C10H10O2/c11-9-5-4-7-2-1-3-8(7)10(9)6-12-10/h4-5H,1-3,6H2
InChIKeyLOSULYBMFZDYRN-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.37
Rot. Bonds

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

spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one (PubChem CID 24752228) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one.

Molecular Properties

Compound Namespiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
PubChem CID24752228
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Namespiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
SMILESO=C1C=CC2=C(CCC2)C12CO2
InChIInChI=1S/C10H10O2/c11-9-5-4-7-2-1-3-8(7)10(9)6-12-10/h4-5H,1-3,6H2
InChIKeyLOSULYBMFZDYRN-UHFFFAOYSA-N
XLogP1.37
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.37
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
(3S)-5-(3-hydroxyhex-5-enyl)-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 135042363
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
1a,2,3,4-Tetrahydronaphtho[1,8a-b]oxiren-8-one
CID 60116994
3a,4,5,5a-Tetrahydrobenzo[e][1]benzofuran-1-one
CID 140474925
15-Oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione
CID 141437524
4-Pentadecyl-1-oxaspiro[2.5]octa-4,6-dien-8-one
CID 148241057
5-Cyclohexyl-8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 23519162
6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
CID 24752232
6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
CID 24752657
6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
CID 24752658

Frequently Asked Questions

What is the IUPAC name of spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
The IUPAC name of spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one (CID 24752228) is spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one.
What is the SMILES notation for spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
The canonical SMILES for spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one is O=C1C=CC2=C(CCC2)C12CO2.
What is the InChIKey of spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
The InChIKey is LOSULYBMFZDYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-9-5-4-7-2-1-3-8(7)10(9)6-12-10/h4-5H,1-3,6H2.
What are the key properties of spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one has a molecular weight of 162.19 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one is sourced from PubChem (CID 24752228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).