5,7-dimethyl-2,3-dihydroinden-1-one

C11H12O — CID 522229

IUPAC5,7-dimethyl-2,3-dihydroinden-1-one
SMILESCc1cc(C)c2c(c1)CCC2=O
InChIInChI=1S/C11H12O/c1-7-5-8(2)11-9(6-7)3-4-10(11)12/h5-6H,3-4H2,1-2H3
InChIKeyNXOHUHPRFMGJSZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.43
Rot. Bonds

About 5,7-dimethyl-2,3-dihydroinden-1-one

5,7-dimethyl-2,3-dihydroinden-1-one (PubChem CID 522229) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 5,7-dimethyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5,7-dimethyl-2,3-dihydroinden-1-one
PubChem CID522229
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name5,7-dimethyl-2,3-dihydroinden-1-one
SMILESCc1cc(C)c2c(c1)CCC2=O
InChIInChI=1S/C11H12O/c1-7-5-8(2)11-9(6-7)3-4-10(11)12/h5-6H,3-4H2,1-2H3
InChIKeyNXOHUHPRFMGJSZ-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,3-dihydroinden-1-one?
The IUPAC name of 5,7-dimethyl-2,3-dihydroinden-1-one (CID 522229) is 5,7-dimethyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5,7-dimethyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5,7-dimethyl-2,3-dihydroinden-1-one is Cc1cc(C)c2c(c1)CCC2=O.
What is the InChIKey of 5,7-dimethyl-2,3-dihydroinden-1-one?
The InChIKey is NXOHUHPRFMGJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-7-5-8(2)11-9(6-7)3-4-10(11)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 5,7-dimethyl-2,3-dihydroinden-1-one?
5,7-dimethyl-2,3-dihydroinden-1-one has a molecular weight of 160.22 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 522229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).