3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

C₁₀H₁₀BrNOCAS 86499-96-9240.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀BrNO
Molar mass: 240.10 g/mol
Exact mass: 238.9946 Da
Melting point: 162–165 °C
logP: 2.98Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

86499-96-9

SMILES

OC1=Nc2ccccc2CCC1Br

InChIKey

JMXPGCGROVEPID-UHFFFAOYSA-N

InChI

InChI=1S/C10H10BrNO/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6H2,(H,12,13)

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

Names and synonyms

4 names

2H-1-Benzazepin-2-one, 3-bromo-1,3,4,5-tetrahydro-
3-Bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
3-Bromo-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
3-Bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one

Work with 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-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

Oxindole59-48-342 % similar (-)-Vasicine6159-55-337 % similar (3S)-N-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide149182-72-935 % similar 1-Indanol6351-10-634 % similar (+)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid23357-47-333 % similar 1,2,3,4-Tetrahydro-2-naphthalenol530-91-633 % similar (-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid85977-52-233 % similar Prilocaine721-50-631 % similar

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

Same formula

5-Bromo-1H-indole-3-ethanol32774-29-1

Elsewhere

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