2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid

C11H9NO3 — CID 96619133

IUPAC2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid
SMILESCc1c(C(=O)C(=O)O)[nH]c2ccccc12
InChIInChI=1S/C11H9NO3/c1-6-7-4-2-3-5-8(7)12-9(6)10(13)11(14)15/h2-5,12H,1H3,(H,14,15)
InChIKeyLINNVXCOCASAEA-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.74
Rot. Bonds2

About 2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid

2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid (PubChem CID 96619133) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid
PubChem CID96619133
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid
SMILESCc1c(C(=O)C(=O)O)[nH]c2ccccc12
InChIInChI=1S/C11H9NO3/c1-6-7-4-2-3-5-8(7)12-9(6)10(13)11(14)15/h2-5,12H,1H3,(H,14,15)
InChIKeyLINNVXCOCASAEA-UHFFFAOYSA-N
XLogP1.74
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone
CID 93341883
(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 113204223
N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204265
9H-carbazole;carbonic acid
CID 67577328
3-amino-1H-indole-2-carboxylic acid;(Z)-but-2-enedioic acid
CID 69007562
(4-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222
3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one
CID 11652395
[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 53013280
[(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate
CID 141455313
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204253
3-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]-1H-indole
CID 156514569
2-oxo-2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 69267464

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid?
The IUPAC name of 2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid (CID 96619133) is 2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid is Cc1c(C(=O)C(=O)O)[nH]c2ccccc12.
What is the InChIKey of 2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid?
The InChIKey is LINNVXCOCASAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-6-7-4-2-3-5-8(7)12-9(6)10(13)11(14)15/h2-5,12H,1H3,(H,14,15).
What are the key properties of 2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid?
2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid has a molecular weight of 203.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid is sourced from PubChem (CID 96619133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).