4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid

C10H9NO4 — CID 117209456

IUPAC4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid
SMILESCN1C(=O)Cc2c1ccc(C(=O)O)c2O
InChIInChI=1S/C10H9NO4/c1-11-7-3-2-5(10(14)15)9(13)6(7)4-8(11)12/h2-3,13H,4H2,1H3,(H,14,15)
InChIKeyFKRGDCLWZBBQAH-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.61
Rot. Bonds1

About 4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid

4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid (PubChem CID 117209456) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid
PubChem CID117209456
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid
SMILESCN1C(=O)Cc2c1ccc(C(=O)O)c2O
InChIInChI=1S/C10H9NO4/c1-11-7-3-2-5(10(14)15)9(13)6(7)4-8(11)12/h2-3,13H,4H2,1H3,(H,14,15)
InChIKeyFKRGDCLWZBBQAH-UHFFFAOYSA-N
XLogP0.61
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 117209566
6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid
CID 117209495
4,5-dibromo-1-methyl-3H-indol-2-one
CID 117209434
1-methyl-2-oxo-3H-indole-7-carboxylic acid
CID 46941532
4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid
CID 82488719
4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid
CID 55297492
2,2-dimethyl-3-(1-methyl-2-oxo-3H-indol-4-yl)propanoic acid
CID 117370248
5-tert-butyl-4-fluoro-1-methyl-3H-indol-2-one
CID 170677197
3,4-dihydroxy-2-methylbenzoic acid
CID 10442073
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
4-ethyl-1-methyl-3H-indol-2-one
CID 122533875
sodium;2,3-dihydroxyterephthalic acid;hydride
CID 175464540

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid?
The IUPAC name of 4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid (CID 117209456) is 4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid is CN1C(=O)Cc2c1ccc(C(=O)O)c2O.
What is the InChIKey of 4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid?
The InChIKey is FKRGDCLWZBBQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-11-7-3-2-5(10(14)15)9(13)6(7)4-8(11)12/h2-3,13H,4H2,1H3,(H,14,15).
What are the key properties of 4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid?
4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid is sourced from PubChem (CID 117209456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).