chempirical

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

C10H9NO2CAS 16511-38-9175.19 g/mol

Open in Covalent MOL file
ONHO
AmideKetoneLactam

Properties

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

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)

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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

1,2,3,4-Tetrahydro-benzo(b)azepin-5-one1127-74-854 % similar Indigo blue482-89-345 % similar Benzosuberone826-73-344 % similar Isatin91-56-544 % similar 1,3-Indandione606-23-542 % similar 1,4-Diphenyl-1,4-butanedione495-71-641 % similar Chromanone491-37-241 % similar 2,3-Dihydro-1-oxo-1H-indene-4-carbonitrile60899-34-539 % 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-carboxaldehyde10601-19-1 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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