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

C17H15NO2 — CID 43160594

IUPAC5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one
SMILESCc1cccc(C(=O)c2ccc3c(c2)CC(=O)N3)c1C
InChIInChI=1S/C17H15NO2/c1-10-4-3-5-14(11(10)2)17(20)12-6-7-15-13(8-12)9-16(19)18-15/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyYAJPDOSYYZBKEJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.03
Rot. Bonds2

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

5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one (PubChem CID 43160594) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one
PubChem CID43160594
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one
SMILESCc1cccc(C(=O)c2ccc3c(c2)CC(=O)N3)c1C
InChIInChI=1S/C17H15NO2/c1-10-4-3-5-14(11(10)2)17(20)12-6-7-15-13(8-12)9-16(19)18-15/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyYAJPDOSYYZBKEJ-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43160618
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
N-[3-(2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]acetamide
CID 68698490
5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 79981848
5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
CID 43338587
5-(3-bromo-5-methylbenzoyl)-1,3-dihydroindol-2-one
CID 104850942
5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate
CID 122655444
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one (CID 43160594) is 5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one is Cc1cccc(C(=O)c2ccc3c(c2)CC(=O)N3)c1C.
What is the InChIKey of 5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one?
The InChIKey is YAJPDOSYYZBKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-10-4-3-5-14(11(10)2)17(20)12-6-7-15-13(8-12)9-16(19)18-15/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one?
5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one has a molecular weight of 265.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43160594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).