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

C₁₀H₁₀ClNOCAS 86499-23-2195.65 g/mol

Open in Covalent MOL file

Alkyl halide Amide Lactam

Properties

Molecular formula: C₁₀H₁₀ClNO
Molar mass: 195.65 g/mol
Exact mass: 195.0451 Da
logP: 2.18Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 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

86499-23-2

SMILES

C1CC2=CC=CC=C2NC(=O)C1Cl

InChIKey

VOEMRDMQXDUFDU-UHFFFAOYSA-N

InChI

InChI=1S/C10H10ClNO/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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Work with 3-Chloro-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

3-Amino-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one86499-35-663 % similar 1,2,3,4-Tetrahydroquinolin-2-one553-03-747 % similar 1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one4424-80-046 % similar (S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester63492-82-042 % similar 2-Methyltetrahydroquinoline1780-19-440 % similar 10,11-Dihydro-5H-dibenz[b,f]azepine494-19-937 % similar Indoline496-15-135 % similar Tetrahydroquinoline635-46-134 % similar

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

Same formula

1-Amino-2-naphthol hydrochloride1198-27-2 7-Chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one160129-45-3 4-Chlorotryptophol41340-30-1 2-Amino-1-naphthol hydrochloride41772-23-0 4-Amino-1-naphthol hydrochloride5959-56-8

Elsewhere

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