7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid

C10H7NO4 — CID 50850653

IUPAC7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid
SMILESCc1ccc(C(=O)O)c2c1NC(=O)C2=O
InChIInChI=1S/C10H7NO4/c1-4-2-3-5(10(14)15)6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,14,15)(H,11,12,13)
InChIKeyJQSBQAMREVGHEB-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.83
Rot. Bonds1

About 7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid

7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid (PubChem CID 50850653) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid.

Molecular Properties

Compound Name7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid
PubChem CID50850653
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid
SMILESCc1ccc(C(=O)O)c2c1NC(=O)C2=O
InChIInChI=1S/C10H7NO4/c1-4-2-3-5(10(14)15)6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,14,15)(H,11,12,13)
InChIKeyJQSBQAMREVGHEB-UHFFFAOYSA-N
XLogP0.83
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-methylphthalic acid
CID 139814560
4-fluoro-5-methyl-1H-indole-2,3-dione
CID 68679007
2,3-dimethylterephthalic acid
CID 158313107
4-ethyl-1,3-dioxoisoindole-5-carboxylic acid
CID 174521718
1,7-dimethyl-3-oxo-1,2-dihydroindene-4-carboxylic acid
CID 131617703
2,3-difluoro-4-methylbenzenesulfonamide;2,3-difluoro-4-sulfamoylbenzoic acid
CID 167706684
2-(2-carboxyphenyl)-3,4-dimethylbenzoic acid
CID 18692681
3-chloro-2-iodo-4-methylbenzoic acid
CID 14885550
5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid
CID 70007618
2-bromo-3,4-dimethylbenzoic acid
CID 20520739
4-methyl-2-(4-phenylphenyl)benzene-1,3-dicarboxylic acid
CID 150641904
4,7-dihydroxy-5,6-dimethyl-1H-indole-2,3-dione
CID 70033322

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid?
The IUPAC name of 7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid (CID 50850653) is 7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid.
What is the SMILES notation for 7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid?
The canonical SMILES for 7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid is Cc1ccc(C(=O)O)c2c1NC(=O)C2=O.
What is the InChIKey of 7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid?
The InChIKey is JQSBQAMREVGHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c1-4-2-3-5(10(14)15)6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid?
7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid is sourced from PubChem (CID 50850653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).