1-methyl-1,3-dihydroinden-2-one

C10H10O — CID 583096

IUPAC1-methyl-1,3-dihydroinden-2-one
SMILESCC1C(=O)Cc2ccccc21
InChIInChI=1S/C10H10O/c1-7-9-5-3-2-4-8(9)6-10(7)11/h2-5,7H,6H2,1H3
InChIKeyXVFJKYPFHFHIOV-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.92
Rot. Bonds

About 1-methyl-1,3-dihydroinden-2-one

1-methyl-1,3-dihydroinden-2-one (PubChem CID 583096) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-methyl-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name1-methyl-1,3-dihydroinden-2-one
PubChem CID583096
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name1-methyl-1,3-dihydroinden-2-one
SMILESCC1C(=O)Cc2ccccc21
InChIInChI=1S/C10H10O/c1-7-9-5-3-2-4-8(9)6-10(7)11/h2-5,7H,6H2,1H3
InChIKeyXVFJKYPFHFHIOV-UHFFFAOYSA-N
XLogP1.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3-dihydroinden-2-one?
The IUPAC name of 1-methyl-1,3-dihydroinden-2-one (CID 583096) is 1-methyl-1,3-dihydroinden-2-one.
What is the SMILES notation for 1-methyl-1,3-dihydroinden-2-one?
The canonical SMILES for 1-methyl-1,3-dihydroinden-2-one is CC1C(=O)Cc2ccccc21.
What is the InChIKey of 1-methyl-1,3-dihydroinden-2-one?
The InChIKey is XVFJKYPFHFHIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-7-9-5-3-2-4-8(9)6-10(7)11/h2-5,7H,6H2,1H3.
What are the key properties of 1-methyl-1,3-dihydroinden-2-one?
1-methyl-1,3-dihydroinden-2-one has a molecular weight of 146.19 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-dihydroinden-2-one is sourced from PubChem (CID 583096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).