6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid

C10H9NO3 — CID 59216572

IUPAC6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)CC(=O)N2
InChIInChI=1S/C10H9NO3/c1-5-2-8-6(4-9(12)11-8)3-7(5)10(13)14/h2-3H,4H2,1H3,(H,11,12)(H,13,14)
InChIKeyXINCDAMGTWKUBZ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.19
Rot. Bonds1

About 6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid

6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid (PubChem CID 59216572) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid
PubChem CID59216572
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)CC(=O)N2
InChIInChI=1S/C10H9NO3/c1-5-2-8-6(4-9(12)11-8)3-7(5)10(13)14/h2-3H,4H2,1H3,(H,11,12)(H,13,14)
InChIKeyXINCDAMGTWKUBZ-UHFFFAOYSA-N
XLogP1.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 10965641
5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43629644
5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43160618
6-chloro-5-methyl-1,3-dihydroindol-2-one;ethane
CID 144928829
6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 106860794
5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 79981558
6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one
CID 65151637
5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one
CID 43160594
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
CID 3730946
5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one
CID 10541398
6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen
CID 162521220
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid (CID 59216572) is 6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid is Cc1cc2c(cc1C(=O)O)CC(=O)N2.
What is the InChIKey of 6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid?
The InChIKey is XINCDAMGTWKUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-5-2-8-6(4-9(12)11-8)3-7(5)10(13)14/h2-3H,4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid?
6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 59216572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).