Methyl oxindole-5-carboxylate

C₁₀H₉NO₃CAS 199328-10-4191.19 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: 0.97Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

199328-10-4

SMILES

COC(=O)C1=CC2=C(C=C1)NC(=O)C2

InChIKey

CYBPPDZFRDSSME-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Methyl 2,3-dihydro-2-oxo-1H-indole-5-carboxylate

Work with Methyl oxindole-5-carboxylate

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

5-Acetyl-2,3-dihydro-1H-indol-2-one64483-69-863 % similar 5-Carboxyoxindole102359-00-259 % similar Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate188614-01-958 % similar 5-(Chloroacetyl)-1,3-dihydro-2H-indol-2-one65435-04-356 % similar 5-Chlorooxindole17630-75-051 % similar 5-Bromo-2-oxindole20870-78-451 % similar 5-Aminooxindole20876-36-251 % similar 5-Hydroxyoxindole3416-18-051 % 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 2-Oxindole-6-carboxylic acid methyl ester14192-26-8 (S)-(-)-4-Benzyloxazolidine-2,5-dione14825-82-2 6-Methoxy-1H-indole-2-carboxylic acid16732-73-3 4-Methoxy-1H-indole-3-carboxylic acid203937-50-2

Elsewhere

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