3,4-dimethyl-2,3-dihydroinden-1-one

C11H12O — CID 12540161

IUPAC3,4-dimethyl-2,3-dihydroinden-1-one
SMILESCc1cccc2c1C(C)CC2=O
InChIInChI=1S/C11H12O/c1-7-4-3-5-9-10(12)6-8(2)11(7)9/h3-5,8H,6H2,1-2H3
InChIKeyVQXQBKMPSGEDSW-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.68
Rot. Bonds

About 3,4-dimethyl-2,3-dihydroinden-1-one

3,4-dimethyl-2,3-dihydroinden-1-one (PubChem CID 12540161) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 3,4-dimethyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3,4-dimethyl-2,3-dihydroinden-1-one
PubChem CID12540161
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name3,4-dimethyl-2,3-dihydroinden-1-one
SMILESCc1cccc2c1C(C)CC2=O
InChIInChI=1S/C11H12O/c1-7-4-3-5-9-10(12)6-8(2)11(7)9/h3-5,8H,6H2,1-2H3
InChIKeyVQXQBKMPSGEDSW-UHFFFAOYSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,3-dihydroinden-1-one?
The IUPAC name of 3,4-dimethyl-2,3-dihydroinden-1-one (CID 12540161) is 3,4-dimethyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 3,4-dimethyl-2,3-dihydroinden-1-one?
The canonical SMILES for 3,4-dimethyl-2,3-dihydroinden-1-one is Cc1cccc2c1C(C)CC2=O.
What is the InChIKey of 3,4-dimethyl-2,3-dihydroinden-1-one?
The InChIKey is VQXQBKMPSGEDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-7-4-3-5-9-10(12)6-8(2)11(7)9/h3-5,8H,6H2,1-2H3.
What are the key properties of 3,4-dimethyl-2,3-dihydroinden-1-one?
3,4-dimethyl-2,3-dihydroinden-1-one has a molecular weight of 160.22 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 12540161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).