1,2,3,4-Tetrahydro-benzo(b)azepin-5-one

C₁₀H₁₁NOCAS 1127-74-8161.20 g/mol

Open in Covalent MOL file

Ketone Secondary amine

Properties

Molecular formula: C₁₀H₁₁NO
Molar mass: 161.20 g/mol
Exact mass: 161.0841 Da
logP: 2.07Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

1127-74-8

SMILES

C1CC(=O)C2=CC=CC=C2NC1

InChIKey

NKRKBYFBKLDCFB-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO/c12-10-6-3-7-11-9-5-2-1-4-8(9)10/h1-2,4-5,11H,3,6-7H2

Weigh it out

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

Names and synonyms

1 names

1,2,3,4-Tetrahydro-benzo[B]azepin-5-one

Work with 1,2,3,4-Tetrahydro-benzo(b)azepin-5-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-Tetralone529-34-055 % similar Benzosuberone826-73-353 % similar 1-Indanone83-33-044 % similar Oil blue 3517354-14-244 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-042 % similar Tetrahydroquinoline635-46-142 % similar 1,3-Indandione606-23-542 % similar 1,2,3,4-Tetrahydroquinoxaline3476-89-941 % 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 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 4-Methoxybenzenepropanenitrile22442-48-4

Elsewhere

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