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

HCID 22822210

Basic information

Standard SMILES
O=Cc1ncn2c1[C@@H]1CCCN1C(=O)c1ccccc1-2
InChIKey
WXLGIHYJOYXODV-ZDUSSCGKSA-N
Molecular formula
C15H13N3O2
Average molar mass
267.28 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
IUPAC
(7S)-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carbaldehyde

Names & synonyms

SCHEMBL7270903WXLGIHYJOYXODV-ZDUSSCGKSA-N(S)-11,12,13,13a -tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxaldehyde(S)-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxaldehyde

Database identifiers

PubChem CID
22822210

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
55.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
20

Related reactions

19 records

Linked notes

Loading…