5-methoxy-2-methylidene-3H-inden-1-one

C11H10O2 — CID 11126767

IUPAC5-methoxy-2-methylidene-3H-inden-1-one
SMILESC=C1Cc2cc(OC)ccc2C1=O
InChIInChI=1S/C11H10O2/c1-7-5-8-6-9(13-2)3-4-10(8)11(7)12/h3-4,6H,1,5H2,2H3
InChIKeyJFAIAZBSNVIZOC-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.99
Rot. Bonds1

About 5-methoxy-2-methylidene-3H-inden-1-one

5-methoxy-2-methylidene-3H-inden-1-one (PubChem CID 11126767) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-methoxy-2-methylidene-3H-inden-1-one.

Molecular Properties

Compound Name5-methoxy-2-methylidene-3H-inden-1-one
PubChem CID11126767
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name5-methoxy-2-methylidene-3H-inden-1-one
SMILESC=C1Cc2cc(OC)ccc2C1=O
InChIInChI=1S/C11H10O2/c1-7-5-8-6-9(13-2)3-4-10(8)11(7)12/h3-4,6H,1,5H2,2H3
InChIKeyJFAIAZBSNVIZOC-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methylidene-3H-inden-1-one?
The IUPAC name of 5-methoxy-2-methylidene-3H-inden-1-one (CID 11126767) is 5-methoxy-2-methylidene-3H-inden-1-one.
What is the SMILES notation for 5-methoxy-2-methylidene-3H-inden-1-one?
The canonical SMILES for 5-methoxy-2-methylidene-3H-inden-1-one is C=C1Cc2cc(OC)ccc2C1=O.
What is the InChIKey of 5-methoxy-2-methylidene-3H-inden-1-one?
The InChIKey is JFAIAZBSNVIZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-7-5-8-6-9(13-2)3-4-10(8)11(7)12/h3-4,6H,1,5H2,2H3.
What are the key properties of 5-methoxy-2-methylidene-3H-inden-1-one?
5-methoxy-2-methylidene-3H-inden-1-one has a molecular weight of 174.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylidene-3H-inden-1-one is sourced from PubChem (CID 11126767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).