3-methyl-2-oxoindole-6-carboxylic acid

C10H7NO3 — CID 175410126

IUPAC3-methyl-2-oxoindole-6-carboxylic acid
SMILESCC1=c2ccc(C(=O)O)cc2=NC1=O
InChIInChI=1S/C10H7NO3/c1-5-7-3-2-6(10(13)14)4-8(7)11-9(5)12/h2-4H,1H3,(H,13,14)
InChIKeyMHEJGHZBSIFKDT-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.28
Rot. Bonds1

About 3-methyl-2-oxoindole-6-carboxylic acid

3-methyl-2-oxoindole-6-carboxylic acid (PubChem CID 175410126) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-methyl-2-oxoindole-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-oxoindole-6-carboxylic acid
PubChem CID175410126
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name3-methyl-2-oxoindole-6-carboxylic acid
SMILESCC1=c2ccc(C(=O)O)cc2=NC1=O
InChIInChI=1S/C10H7NO3/c1-5-7-3-2-6(10(13)14)4-8(7)11-9(5)12/h2-4H,1H3,(H,13,14)
InChIKeyMHEJGHZBSIFKDT-UHFFFAOYSA-N
XLogP-0.28
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxoindole-6-carboxylic acid?
The IUPAC name of 3-methyl-2-oxoindole-6-carboxylic acid (CID 175410126) is 3-methyl-2-oxoindole-6-carboxylic acid.
What is the SMILES notation for 3-methyl-2-oxoindole-6-carboxylic acid?
The canonical SMILES for 3-methyl-2-oxoindole-6-carboxylic acid is CC1=c2ccc(C(=O)O)cc2=NC1=O.
What is the InChIKey of 3-methyl-2-oxoindole-6-carboxylic acid?
The InChIKey is MHEJGHZBSIFKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c1-5-7-3-2-6(10(13)14)4-8(7)11-9(5)12/h2-4H,1H3,(H,13,14).
What are the key properties of 3-methyl-2-oxoindole-6-carboxylic acid?
3-methyl-2-oxoindole-6-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxoindole-6-carboxylic acid is sourced from PubChem (CID 175410126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).