Indole-3-acetone

C₁₁H₁₁NOCAS 1201-26-9173.22 g/mol

Open in Covalent MOL file

Ketone

Properties

Molecular formula: C₁₁H₁₁NO
Molar mass: 173.22 g/mol
Exact mass: 173.0841 Da
Melting point: 116 °C
logP: 2.30Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation50% 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

1201-26-9

SMILES

CC(=O)Cc1c[nH]c2ccccc12

InChIKey

LDVHYJKRIKBISQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H11NO/c1-8(13)6-9-7-12-11-5-3-2-4-10(9)11/h2-5,7,12H,6H2,1H3

Weigh it out

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

Names and synonyms

11 names

2-Propanone, 1-(1H-indol-3-yl)-
2-Propanone, 1-indol-3-yl-
2-Propanone, indol-3-yl-
1-(1H-Indol-3-yl)-2-propanone
Indol-3-yl-2-propanone
3-(2-Oxopropyl)indole
3-Indolylacetone
3-Acetonylindole
(1H-Indol-3-yl)acetone
NSC 100751
1-(1H-Indol-3-yl)propan-2-one

Work with Indole-3-acetone

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

Indole-3-acetic acid87-51-462 % similar β-Indolylacetic acid methyl ester1912-33-062 % similar Ethyl 1H-indole-3-acetate778-82-559 % similar 3-Indolylacetic acid potassium salt2338-19-457 % similar Indole-3-pyruvic acid392-12-157 % similar 3,3′-Diindolylmethane1968-05-455 % similar Indole-3-acetamide879-37-854 % similar 1H-Indole-3-propanoic acid830-96-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Quinolin-2-yl)ethanol1011-50-3 6-Methoxy-2-methylquinoline1078-28-0 7-Ethyl-1H-indole-3-carbaldehyde154989-45-4 1,2-Dimethyl-1H-indole-3-carboxaldehyde38292-40-9 6-Methoxy-4-methylquinoline41037-26-7 1-(4-Methoxyphenyl)-1H-pyrrole5145-71-1 Pyroquilon57369-32-1

Elsewhere

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