5-(2-methylbenzoyl)-1,3-dihydroindol-2-one

C16H13NO2 — CID 43160618

IUPAC5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
SMILESCc1ccccc1C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H13NO2/c1-10-4-2-3-5-13(10)16(19)11-6-7-14-12(8-11)9-15(18)17-14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyHKXIYXFBWLXVAV-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.72
Rot. Bonds2

About 5-(2-methylbenzoyl)-1,3-dihydroindol-2-one

5-(2-methylbenzoyl)-1,3-dihydroindol-2-one (PubChem CID 43160618) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-(2-methylbenzoyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
PubChem CID43160618
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
SMILESCc1ccccc1C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H13NO2/c1-10-4-2-3-5-13(10)16(19)11-6-7-14-12(8-11)9-15(18)17-14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyHKXIYXFBWLXVAV-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one
CID 43160594
5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43629644
5-(2-iodobenzoyl)-1,3-dihydroindol-2-one
CID 43338616
5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43338590
5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 43462953
5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 79981848
2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone
CID 116613082
5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
CID 43338587
N-(2-methylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344864
5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
N-[3-(2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]acetamide
CID 68698490
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbenzoyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-methylbenzoyl)-1,3-dihydroindol-2-one (CID 43160618) is 5-(2-methylbenzoyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-methylbenzoyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-methylbenzoyl)-1,3-dihydroindol-2-one is Cc1ccccc1C(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(2-methylbenzoyl)-1,3-dihydroindol-2-one?
The InChIKey is HKXIYXFBWLXVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-4-2-3-5-13(10)16(19)11-6-7-14-12(8-11)9-15(18)17-14/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 5-(2-methylbenzoyl)-1,3-dihydroindol-2-one?
5-(2-methylbenzoyl)-1,3-dihydroindol-2-one has a molecular weight of 251.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbenzoyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43160618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).