7-Benzoyl-3-methyl-1,3-dihydro-2H-indol-2-one

HCID 12901243CAS 61085-35-6

Substructure search Find similar structures

Basic information

Standard SMILES: CC1C(=O)Nc2c(C(=O)c3ccccc3)cccc21
InChIKey: FTKIXYMRJIBPFA-UHFFFAOYSA-N
Molecular formula: C16H13NO2
Average molar mass: 251.28 g/mol
Monoisotopic mass: 251.09462866

Names & identifiers

Preferred name: 7-Benzoyl-3-methyl-1,3-dihydro-2H-indol-2-one
IUPAC: 7-benzoyl-3-methyl-1,3-dihydroindol-2-one

Names & synonyms

61085-35-67-Benzoyl-3-methyl-1,3-dihydro-2H-indol-2-oneSCHEMBL11458734DTXSID705125647-Benzoyl-3-methylindolin-2-oneFTKIXYMRJIBPFA-UHFFFAOYSA-N

Database identifiers

CAS: 61085-35-6
PubChem CID: 12901243
DTXSID: DTXSID70512564

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 373

Related reactions

8 records

New reaction record

HRID 190933 reaction equation

HRID 190933As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 442543 reaction equation

HRID 442543As productuspto-grants-1977_08

HRID 442553 reaction equation

HRID 442553As reactantuspto-grants-1977_08

HRID 1283627 reaction equation

HRID 1283627As productuspto-grants-1976_08

HRID 1704326 reaction equation

HRID 1704326As productuspto-grants-1978_11

HRID 1704335 reaction equation

HRID 1704335As reactantuspto-grants-1978_11

HRID 2051872 reaction equation

HRID 2051872As productuspto-grants-1980_01

HRID 2051881 reaction equation

HRID 2051881As reactantuspto-grants-1980_01

Linked notes

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