5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one

C18H17NO2 — CID 43161351

IUPAC5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one
SMILESCc1ccc(C(=O)c2ccc3c(c2)CC(=O)N3C)cc1C
InChIInChI=1S/C18H17NO2/c1-11-4-5-13(8-12(11)2)18(21)14-6-7-16-15(9-14)10-17(20)19(16)3/h4-9H,10H2,1-3H3
InChIKeyRFUZJKGFMWARMR-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.05
Rot. Bonds2

About 5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one

5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one (PubChem CID 43161351) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one
PubChem CID43161351
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one
SMILESCc1ccc(C(=O)c2ccc3c(c2)CC(=O)N3C)cc1C
InChIInChI=1S/C18H17NO2/c1-11-4-5-13(8-12(11)2)18(21)14-6-7-16-15(9-14)10-17(20)19(16)3/h4-9H,10H2,1-3H3
InChIKeyRFUZJKGFMWARMR-UHFFFAOYSA-N
XLogP3.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one
CID 107981641
5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43248282
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one
CID 43463242
N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide
CID 116847960
5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43339447
5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one
CID 107176338
5-(4-bromo-2-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43161338
5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one
CID 43463235
5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 81265370
4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid
CID 116520148
N-cycloheptyl-1-methyl-2-oxo-3H-indole-5-carboxamide
CID 52986175

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one (CID 43161351) is 5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one is Cc1ccc(C(=O)c2ccc3c(c2)CC(=O)N3C)cc1C.
What is the InChIKey of 5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one?
The InChIKey is RFUZJKGFMWARMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-11-4-5-13(8-12(11)2)18(21)14-6-7-16-15(9-14)10-17(20)19(16)3/h4-9H,10H2,1-3H3.
What are the key properties of 5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one?
5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 43161351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).