2,3,4,5-Tetrahydro-1H-1-benzazepine-2,5-dione

C₁₀H₉NO₂CAS 16511-38-9175.19 g/mol

Open in Covalent MOL file

Amide Ketone Lactam

Properties

Molecular formula: C₁₀H₉NO₂
Molar mass: 175.19 g/mol
Exact mass: 175.0633 Da
logP: 1.60Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16511-38-9

SMILES

C1CC(=O)NC2=CC=CC=C2C1=O

InChIKey

VDTXDALRBZEUFV-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO2/c12-9-5-6-10(13)11-8-4-2-1-3-7(8)9/h1-4H,5-6H2,(H,11,13)

Weigh it out

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

Names and synonyms

1 names

1H-[1]-Benzazephe-2,5(3H, 4H)-dione

Work with 2,3,4,5-Tetrahydro-1H-1-benzazepine-2,5-dione

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

2,3-Dihydroquinolin-4(1H)-one4295-36-758 % similar 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one1127-74-854 % similar 1,2,3,4-Tetrahydroquinolin-2-one553-03-753 % similar 1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one4424-80-051 % similar 3,4-Dihydro-1H-quinoxalin-2-one59564-59-948 % similar DE(5-carboxamide)oxcarbazepine21737-58-646 % similar 1-Tetralone529-34-046 % similar Indigo blue482-89-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl indole-5-carboxylate1011-65-0 5-Methylindole-2-carboxylic acid10241-97-1 Methyl 4-cyano-2-methylbenzoate103261-67-2 5-Methoxyindole-3-carbaldehyde10601-19-1 Methyl 1H-indole-2-carboxylate1202-04-6 1-Methyl-1H-indole-2-carboxylic acid16136-58-6 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9 1-Acetyl-3-indolinone16800-68-3

Elsewhere

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