1,3-Dihydro-4-(2-hydroxyethyl)-2H-indol-2-one

C₁₀H₁₁NO₂CAS 139122-19-3177.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₁NO₂
Molar mass: 177.20 g/mol
Exact mass: 177.0790 Da
logP: 1.37Crippen estimate
Polar surface area: 52.8 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H317 May cause an allergic skin reaction95.1% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

139122-19-3

SMILES

OCCc1cccc2c1CC(O)=N2

InChIKey

QRTHVOUKWCEPKJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO2/c12-5-4-7-2-1-3-9-8(7)6-10(13)11-9/h1-3,12H,4-6H2,(H,11,13)

Weigh it out

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

Names and synonyms

4 names

2H-Indol-2-one, 1,3-dihydro-4-(2-hydroxyethyl)-
4-(2-Hydroxyethyl)-1,3-dihydroindol-2-one
4-(2-Hydroxyethyl)-1,3-dihydro-2H-indol-2-one
4-(2-Hydroxyethyl)indolin-2-one

Work with 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indol-2-one

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

Ropinirole91374-21-959 % similar Ropinirole hydrochloride91374-20-855 % similar Oxindole59-48-352 % similar 3,4-Dihydro-5-hydroxy-2(1H)-quinolinone30389-33-446 % similar 2,3-Dihydro-4-benzofuranethanol199391-76-944 % similar 2-Chlorobenzeneethanol19819-95-542 % similar Naphthalen-1-ethanol773-99-941 % similar 6-Chlorooxindole56341-37-840 % similar

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

Same formula

Acetoacetanilide102-01-2 (R)-4-Benzyl-2-oxazolidinone102029-44-7 (3R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid103733-65-9 3,5-Dimethoxyphenylacetonitrile13388-75-5 5,6-Dimethoxyindole14430-23-0 (4S,5R)-(-)-4-Methyl-5-phenyl-2-oxazolidinone16251-45-9 2,5-Dimethoxyphenylacetonitrile18086-24-3 7-Methoxy-3,4-dihydro-2H-isoquinolin-1-one22246-04-4

Elsewhere

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