1-methyl-2-oxo-3H-indole-7-carboxylic acid

C10H9NO3 — CID 46941532

IUPAC1-methyl-2-oxo-3H-indole-7-carboxylic acid
SMILESCN1C(=O)Cc2cccc(C(=O)O)c21
InChIInChI=1S/C10H9NO3/c1-11-8(12)5-6-3-2-4-7(9(6)11)10(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyDVWOMELKYITYJG-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.90
Rot. Bonds1

About 1-methyl-2-oxo-3H-indole-7-carboxylic acid

1-methyl-2-oxo-3H-indole-7-carboxylic acid (PubChem CID 46941532) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-methyl-2-oxo-3H-indole-7-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-3H-indole-7-carboxylic acid
PubChem CID46941532
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name1-methyl-2-oxo-3H-indole-7-carboxylic acid
SMILESCN1C(=O)Cc2cccc(C(=O)O)c21
InChIInChI=1S/C10H9NO3/c1-11-8(12)5-6-3-2-4-7(9(6)11)10(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyDVWOMELKYITYJG-UHFFFAOYSA-N
XLogP0.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(1-methyl-2-oxo-3H-indol-7-yl)propanoic acid
CID 117370249
1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid
CID 117401849
2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid
CID 117364769
7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one
CID 117291612
5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-6-carboxylic acid
CID 83822514
4-amino-4-(1-methyl-2-oxo-3H-indol-7-yl)butanoic acid
CID 117373605
1-methyl-2-oxo-3H-indole-7-carbonitrile
CID 82653401
9,10-dihydroanthracene-1,5-dicarboxylic acid
CID 69239993
6-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid
CID 117209495
3-amino-2-(4-methylpiperazin-1-yl)benzoic acid
CID 84698678
4-hydroxy-1-methyl-2-oxo-3H-indole-5-carboxylic acid
CID 117209456
5-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carboxamide
CID 173108366

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-3H-indole-7-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-3H-indole-7-carboxylic acid (CID 46941532) is 1-methyl-2-oxo-3H-indole-7-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-3H-indole-7-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-3H-indole-7-carboxylic acid is CN1C(=O)Cc2cccc(C(=O)O)c21.
What is the InChIKey of 1-methyl-2-oxo-3H-indole-7-carboxylic acid?
The InChIKey is DVWOMELKYITYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-11-8(12)5-6-3-2-4-7(9(6)11)10(13)14/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 1-methyl-2-oxo-3H-indole-7-carboxylic acid?
1-methyl-2-oxo-3H-indole-7-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-3H-indole-7-carboxylic acid is sourced from PubChem (CID 46941532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).