chempirical

4,5-Dihydro-6-oxime-imidazo[4,5,1-jk][1]benzazepine-2,6,7(1H)-trione

C11H9N3O3CAS 92260-82-7231.21 g/mol

Open in Covalent MOL file
NHNOONOH
KetoneOxime

Properties

Molecular formula
C11H9N3O3
Molar mass
231.21 g/mol
Exact mass
231.0644 Da
logP
0.75Crippen estimate
Polar surface area
87.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0
Double bonds
ZE/Z, in SMILES order

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
92260-82-7
SMILES
C\1CN2C3=C(C=CC=C3NC2=O)C(=O)/C1=N\O
InChIKey
YRFMUFXBAIBWKI-JYRVWZFOSA-N
InChI
InChI=1S/C11H9N3O3/c15-10-6-2-1-3-7-9(6)14(11(16)12-7)5-4-8(10)13-17/h1-3,17H,4-5H2,(H,12,16)/b13-8-

Weigh it out

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

Work with 4,5-Dihydro-6-oxime-imidazo[4,5,1-jk][1]benzazepine-2,6,7(1H)-trione

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

5,6-Dihydroimidazo(4,5,1-jk)(1)benzazepine-2,7(1h,4h)-dione92260-81-656 % similar 7-Amino-6-hydroxy-6,7,8,9-tetrahydro-2,9a-diazabenzo[cd]azulen-1(2H)-one hydrochloride1021910-71-340 % similar 2-Oxo-1-benzimidazolinebutyric acid3273-68-539 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook