(S)-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxaldehyde-1-oxime

HCID 86738267

Basic information

Standard SMILES
O=C1c2ccccc2-n2cnc(C=NO)c2[C@@H]2CCCN12
InChIKey
HLQJQGCABMXAKE-ZDUSSCGKSA-N
Molecular formula
C15H14N4O2
Average molar mass
282.3 g/mol

Names & identifiers

Preferred name
(S)-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxaldehyde-1-oxime
IUPAC
(7S)-5-(hydroxyiminomethyl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one

Names & synonyms

SCHEMBL7271229HLQJQGCABMXAKE-ZDUSSCGKSA-N(S)-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxaldehyde-1-oxime

Database identifiers

PubChem CID
86738267

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
70.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
21

Related reactions

12 records

Linked notes

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