1-Acetyl-5-bromoindoline

C₁₀H₁₀BrNOCAS 22190-38-1240.10 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₁₀H₁₀BrNO
Molar mass: 240.10 g/mol
Exact mass: 238.9946 Da
logP: 2.36Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

22190-38-1

SMILES

CC(=O)N1CCC2=C1C=CC(=C2)Br

InChIKey

WQKQAIXOTCPWFE-UHFFFAOYSA-N

InChI

InChI=1S/C10H10BrNO/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5H2,1H3

Weigh it out

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

Names and synonyms

1 names

1-(5-Bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one

Work with 1-Acetyl-5-bromoindoline

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

1-Acetyl-5-amino-2,3-dihydro-(1H)-indole4993-96-865 % similar 1-Acetylindoline16078-30-161 % similar 1-Acetyl-5-nitroindoline33632-27-859 % similar 1-Acetyl-5-bromo-7-nitroindoline62368-07-451 % similar tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate258515-65-040 % similar 1,1-Dimethylethyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate893566-74-040 % similar 5-Bromo-1-indanone34598-49-740 % similar 6-Bromo-2-tetralone4133-35-139 % similar

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

Same formula

6-Bromo-3,3-dimethyl-2,3-dihydro-1H-indol-2-one158326-84-2 5-Bromo-1H-indole-3-ethanol32774-29-1 1-(4-Bromophenyl)pyrrolidin-2-one7661-32-7 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one86499-96-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook