2-Oxindole-6-carboxylic acid methyl ester

C₁₀H₉NO₃CAS 14192-26-8191.19 g/mol

Open in Covalent MOL file

Amide Ester Lactam

Properties

Molecular formula: C₁₀H₉NO₃
Molar mass: 191.19 g/mol
Exact mass: 191.0582 Da
logP: 1.62Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed89.4% of notifiers
H317 May cause an allergic skin reaction83% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

14192-26-8

SMILES

COC(=O)c1ccc2c(c1)N=C(O)C2

InChIKey

YFTGUNWFFVDLNM-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO3/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7/h2-4H,5H2,1H3,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid methyl ester
1H-Indole-6-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester
6-Indolinecarboxylic acid, 2-oxo-, methyl ester
6-(Methoxycarbonyl)-2-indolone
Methyl 2-oxoindoline-6-carboxylate
Methyl 2-oxindole-6-carboxylate

Work with 2-Oxindole-6-carboxylic acid methyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl isophthalate1459-93-450 % similar Mono-methyl isophthalate1877-71-049 % similar Methyl 3,4-dihydroxybenzoate2150-43-849 % similar Methyl 3,4-dimethylbenzoate38404-42-149 % similar 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-349 % similar Methyl (3E)-2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylate1168150-46-648 % similar Methyl 2-naphthoate2459-25-848 % similar 6-Chlorooxindole56341-37-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Methoxy-1H-indole-3-carboxylic acid10242-01-0 4-Methoxy-1H-indole-2-carboxylic acid103260-65-7 7-Methoxy-1H-indole-3-carboxylic acid128717-77-1 5-Hydroxyindoleacetic acid1321-73-9 (S)-(-)-4-Benzyloxazolidine-2,5-dione14825-82-2 6-Methoxy-1H-indole-2-carboxylic acid16732-73-3 Methyl oxindole-5-carboxylate199328-10-4 4-Methoxy-1H-indole-3-carboxylic acid203937-50-2

Elsewhere

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