chempirical

1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one

C10H11NOCAS 4424-80-0161.20 g/mol

Open in Covalent MOL file
HNO
AmideLactam

Properties

Molecular formula
C10H11NO
Molar mass
161.20 g/mol
Exact mass
161.0841 Da
logP
1.96Crippen estimate
Polar surface area
29.1 Ų
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
4424-80-0
SMILES
C1CC2=CC=CC=C2NC(=O)C1
InChIKey
HRVRAYIYXRVAPR-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO/c12-10-7-3-5-8-4-1-2-6-9(8)11-10/h1-2,4,6H,3,5,7H2,(H,11,12)

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Work with 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

1,2,3,4-Tetrahydroquinolin-2-one553-03-782 % similar 2,3,4,5-Tetrahydro-1H-1-benzazepine-2,5-dione16511-38-951 % similar 3,4-Dihydro-1H-quinoxalin-2-one59564-59-950 % similar 6-Bromo-3,4-dihydro-1H-quinolin-2-one3279-90-147 % similar 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone54197-66-947 % similar 1-Tetralone529-34-047 % similar 3-Chloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one86499-23-246 % similar 3-Amino-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one86499-35-646 % similar

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

Same formula

5-Ethoxy-1H-indole10501-17-4 5-Methoxy-2-methylindole1076-74-0 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one1127-74-8 4-Phenyl-2-pyrrolidinone1198-97-6 N-Benzylacrylamide13304-62-6 3-(Methylphenylamino)-2-propenal14189-82-3 1-Acetylindoline16078-30-1 2,5,6-Trimethylbenzoxazole19219-98-8

Elsewhere

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