5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one

C17H17NO — CID 82087696

IUPAC5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc(-c2ccc3c(c2)C(C)C(=O)N3)c(C)c1
InChIInChI=1S/C17H17NO/c1-10-4-6-14(11(2)8-10)13-5-7-16-15(9-13)12(3)17(19)18-16/h4-9,12H,1-3H3,(H,18,19)
InChIKeyLCLBLRFDHYOCAH-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.03
Rot. Bonds1

About 5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one

5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82087696) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one
PubChem CID82087696
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc(-c2ccc3c(c2)C(C)C(=O)N3)c(C)c1
InChIInChI=1S/C17H17NO/c1-10-4-6-14(11(2)8-10)13-5-7-16-15(9-13)12(3)17(19)18-16/h4-9,12H,1-3H3,(H,18,19)
InChIKeyLCLBLRFDHYOCAH-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one (CID 82087696) is 5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one is Cc1ccc(-c2ccc3c(c2)C(C)C(=O)N3)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is LCLBLRFDHYOCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-10-4-6-14(11(2)8-10)13-5-7-16-15(9-13)12(3)17(19)18-16/h4-9,12H,1-3H3,(H,18,19).
What are the key properties of 5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one?
5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 251.33 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82087696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).