3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one

C16H15NO — CID 82083874

IUPAC3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one
SMILESCc1ccccc1-c1ccc2c(c1)C(C)C(=O)N2
InChIInChI=1S/C16H15NO/c1-10-5-3-4-6-13(10)12-7-8-15-14(9-12)11(2)16(18)17-15/h3-9,11H,1-2H3,(H,17,18)
InChIKeyFDRMNZXSIOTHSI-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.72
Rot. Bonds1

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

3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one (PubChem CID 82083874) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one
PubChem CID82083874
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one
SMILESCc1ccccc1-c1ccc2c(c1)C(C)C(=O)N2
InChIInChI=1S/C16H15NO/c1-10-5-3-4-6-13(10)12-7-8-15-14(9-12)11(2)16(18)17-15/h3-9,11H,1-2H3,(H,17,18)
InChIKeyFDRMNZXSIOTHSI-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one (CID 82083874) is 3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one is Cc1ccccc1-c1ccc2c(c1)C(C)C(=O)N2.
What is the InChIKey of 3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one?
The InChIKey is FDRMNZXSIOTHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-10-5-3-4-6-13(10)12-7-8-15-14(9-12)11(2)16(18)17-15/h3-9,11H,1-2H3,(H,17,18).
What are the key properties of 3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one?
3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one has a molecular weight of 237.30 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82083874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).