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

C11H12O3 — CID 24752232

IUPAC6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
SMILESO=C1C(CO)=CC2=C(CCC2)C12CO2
InChIInChI=1S/C11H12O3/c12-5-8-4-7-2-1-3-9(7)11(6-14-11)10(8)13/h4,12H,1-3,5-6H2
InChIKeyDTHSOBUGOZWGGG-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.74
Rot. Bonds1

About 6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one

6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one (PubChem CID 24752232) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one.

Molecular Properties

Compound Name6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
PubChem CID24752232
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
SMILESO=C1C(CO)=CC2=C(CCC2)C12CO2
InChIInChI=1S/C11H12O3/c12-5-8-4-7-2-1-3-9(7)11(6-14-11)10(8)13/h4,12H,1-3,5-6H2
InChIKeyDTHSOBUGOZWGGG-UHFFFAOYSA-N
XLogP0.74
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
CID 24752228
4-(1-Hydroxyhex-5-enyl)-1-oxaspiro[2.5]octa-4,6-dien-8-one
CID 72197418
(3S)-5-(3-hydroxyhex-5-enyl)-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 135042363
6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
CID 24752658
5-(3-Hydroxyhex-5-enyl)-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 102484136

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
The IUPAC name of 6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one (CID 24752232) is 6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one.
What is the SMILES notation for 6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
The canonical SMILES for 6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one is O=C1C(CO)=CC2=C(CCC2)C12CO2.
What is the InChIKey of 6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
The InChIKey is DTHSOBUGOZWGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-5-8-4-7-2-1-3-9(7)11(6-14-11)10(8)13/h4,12H,1-3,5-6H2.
What are the key properties of 6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one?
6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one has a molecular weight of 192.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one is sourced from PubChem (CID 24752232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).