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

C10H9NO4 — CID 117209495

IUPAC6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid
SMILESCN1C(=O)Cc2cc(C(=O)O)c(O)cc21
InChIInChI=1S/C10H9NO4/c1-11-7-4-8(12)6(10(14)15)2-5(7)3-9(11)13/h2,4,12H,3H2,1H3,(H,14,15)
InChIKeyLUTFTBVEJNVXSU-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.61
Rot. Bonds1

About 6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid

6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid (PubChem CID 117209495) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid
PubChem CID117209495
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid
SMILESCN1C(=O)Cc2cc(C(=O)O)c(O)cc21
InChIInChI=1S/C10H9NO4/c1-11-7-4-8(12)6(10(14)15)2-5(7)3-9(11)13/h2,4,12H,3H2,1H3,(H,14,15)
InChIKeyLUTFTBVEJNVXSU-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

4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid
CID 82488719
3-hydroxy-5-methyl-7H-furo[2,3-f]indol-6-one
CID 54228174
4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid
CID 117209456
7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 117209612
1-methyl-2-oxo-3H-indole-7-carboxylic acid
CID 46941532
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
CID 115194357
1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid
CID 82289083
6-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid
CID 68935618
4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid
CID 82488652
5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid
CID 82488432
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid?
The IUPAC name of 6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid (CID 117209495) is 6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid.
What is the SMILES notation for 6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid?
The canonical SMILES for 6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid is CN1C(=O)Cc2cc(C(=O)O)c(O)cc21.
What is the InChIKey of 6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid?
The InChIKey is LUTFTBVEJNVXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-11-7-4-8(12)6(10(14)15)2-5(7)3-9(11)13/h2,4,12H,3H2,1H3,(H,14,15).
What are the key properties of 6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid?
6-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 6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid is sourced from PubChem (CID 117209495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).