5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one

C13H14O4 — CID 15004559

IUPAC5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one
SMILESC=C1CCC2=C1C1(CO1)C(OC)=C(OC)C2=O
InChIInChI=1S/C13H14O4/c1-7-4-5-8-9(7)13(6-17-13)12(16-3)11(15-2)10(8)14/h1,4-6H2,2-3H3
InChIKeyDZPHCCIUXURDQQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.49
Rot. Bonds2

About 5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one

5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one (PubChem CID 15004559) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one.

Molecular Properties

Compound Name5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one
PubChem CID15004559
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one
SMILESC=C1CCC2=C1C1(CO1)C(OC)=C(OC)C2=O
InChIInChI=1S/C13H14O4/c1-7-4-5-8-9(7)13(6-17-13)12(16-3)11(15-2)10(8)14/h1,4-6H2,2-3H3
InChIKeyDZPHCCIUXURDQQ-UHFFFAOYSA-N
XLogP1.49
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1E)-5,6-dimethoxy-1-pentylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one
CID 15004560
5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one
CID 57303507
(1E)-1-hex-5-enylidene-5,6-dimethoxyspiro[2,3-dihydroindene-7,2'-oxirane]-4-one
CID 15004564
6-methylspiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
CID 24752658

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one?
The IUPAC name of 5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one (CID 15004559) is 5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one.
What is the SMILES notation for 5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one?
The canonical SMILES for 5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one is C=C1CCC2=C1C1(CO1)C(OC)=C(OC)C2=O.
What is the InChIKey of 5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one?
The InChIKey is DZPHCCIUXURDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-7-4-5-8-9(7)13(6-17-13)12(16-3)11(15-2)10(8)14/h1,4-6H2,2-3H3.
What are the key properties of 5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one?
5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one has a molecular weight of 234.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one is sourced from PubChem (CID 15004559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).