1-(1H-Indol-5-yl)ethanone

C₁₀H₉NOCAS 53330-94-2159.19 g/mol

Open in Covalent MOL file

Ketone

Properties

Molecular formula: C₁₀H₉NO
Molar mass: 159.19 g/mol
Exact mass: 159.0684 Da
Melting point: 94–95 °C
logP: 2.37Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

53330-94-2

SMILES

CC(=O)c1ccc2[nH]ccc2c1

InChIKey

GOFIUEUUROFVMA-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO/c1-7(12)8-2-3-10-9(6-8)4-5-11-10/h2-6,11H,1H3

Weigh it out

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

Names and synonyms

5 names

Ethanone, 1-(1H-indol-5-yl)-
Ketone, indol-5-yl methyl
5-Acetylindole
5-Acetyl-1H-indole
1-(1H-Indol-5-yl)ethan-1-one

Work with 1-(1H-Indol-5-yl)ethanone

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

1H-Indole-5-carboxylic acid1670-81-160 % similar Methyl indole-5-carboxylate1011-65-059 % similar Ethyl indole-5-carboxylate32996-16-055 % similar 2-Acetylnaphthalene93-08-353 % similar 5-Methylindole614-96-048 % similar 1,4-Diacetylbenzene1009-61-648 % similar 1,3-Diacetylbenzene6781-42-647 % similar 6-Acetyl-2(3H)-benzothiazolone133044-44-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Quinolinemethanol100516-88-9 8-Amino-2-naphthol118-46-7 2-Quinolinemethanol1780-17-2 3-Methylquinoline N-oxide1873-55-8 1-Methylindole-3-carboxaldehyde19012-03-4 Indole-3-acetaldehyde2591-98-2 1-Isoquinolinemethanol27311-63-3 1-Amino-2-naphthol2834-92-6

Elsewhere

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