5-methyl-3-methylideneinden-1-one

C11H10O — CID 153330245

IUPAC5-methyl-3-methylideneinden-1-one
SMILESC=C1CC(=O)c2ccc(C)cc21
InChIInChI=1S/C11H10O/c1-7-3-4-9-10(5-7)8(2)6-11(9)12/h3-5H,2,6H2,1H3
InChIKeyLBAGFCKHVAMFMZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.59
Rot. Bonds

About 5-methyl-3-methylideneinden-1-one

5-methyl-3-methylideneinden-1-one (PubChem CID 153330245) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-methyl-3-methylideneinden-1-one.

Molecular Properties

Compound Name5-methyl-3-methylideneinden-1-one
PubChem CID153330245
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name5-methyl-3-methylideneinden-1-one
SMILESC=C1CC(=O)c2ccc(C)cc21
InChIInChI=1S/C11H10O/c1-7-3-4-9-10(5-7)8(2)6-11(9)12/h3-5H,2,6H2,1H3
InChIKeyLBAGFCKHVAMFMZ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-methylideneinden-1-one?
The IUPAC name of 5-methyl-3-methylideneinden-1-one (CID 153330245) is 5-methyl-3-methylideneinden-1-one.
What is the SMILES notation for 5-methyl-3-methylideneinden-1-one?
The canonical SMILES for 5-methyl-3-methylideneinden-1-one is C=C1CC(=O)c2ccc(C)cc21.
What is the InChIKey of 5-methyl-3-methylideneinden-1-one?
The InChIKey is LBAGFCKHVAMFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-7-3-4-9-10(5-7)8(2)6-11(9)12/h3-5H,2,6H2,1H3.
What are the key properties of 5-methyl-3-methylideneinden-1-one?
5-methyl-3-methylideneinden-1-one has a molecular weight of 158.20 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-methylideneinden-1-one is sourced from PubChem (CID 153330245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).