6-methyl-2-methylidene-3H-inden-1-one

C11H10O — CID 58198133

IUPAC6-methyl-2-methylidene-3H-inden-1-one
SMILESC=C1Cc2ccc(C)cc2C1=O
InChIInChI=1S/C11H10O/c1-7-3-4-9-6-8(2)11(12)10(9)5-7/h3-5H,2,6H2,1H3
InChIKeyFOPXVVFMURAZAV-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.29
Rot. Bonds

About 6-methyl-2-methylidene-3H-inden-1-one

6-methyl-2-methylidene-3H-inden-1-one (PubChem CID 58198133) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 6-methyl-2-methylidene-3H-inden-1-one.

Molecular Properties

Compound Name6-methyl-2-methylidene-3H-inden-1-one
PubChem CID58198133
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name6-methyl-2-methylidene-3H-inden-1-one
SMILESC=C1Cc2ccc(C)cc2C1=O
InChIInChI=1S/C11H10O/c1-7-3-4-9-6-8(2)11(12)10(9)5-7/h3-5H,2,6H2,1H3
InChIKeyFOPXVVFMURAZAV-UHFFFAOYSA-N
XLogP2.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-methyl-2-methylidene-3H-inden-1-one?
The IUPAC name of 6-methyl-2-methylidene-3H-inden-1-one (CID 58198133) is 6-methyl-2-methylidene-3H-inden-1-one.
What is the SMILES notation for 6-methyl-2-methylidene-3H-inden-1-one?
The canonical SMILES for 6-methyl-2-methylidene-3H-inden-1-one is C=C1Cc2ccc(C)cc2C1=O.
What is the InChIKey of 6-methyl-2-methylidene-3H-inden-1-one?
The InChIKey is FOPXVVFMURAZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-7-3-4-9-6-8(2)11(12)10(9)5-7/h3-5H,2,6H2,1H3.
What are the key properties of 6-methyl-2-methylidene-3H-inden-1-one?
6-methyl-2-methylidene-3H-inden-1-one has a molecular weight of 158.20 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylidene-3H-inden-1-one is sourced from PubChem (CID 58198133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).