53462-75-2
3,4-DIHYDRO-PYRROLO[4,3,2-DE]ISOQUINOLIN-5(1H)-ONE
Name3,4-DIHYDRO-PYRROLO[4,3,2-DE]ISOQUINOLIN-5(1H)-ONE
1Identification
【Name】
3,4-DIHYDRO-PYRROLO[4,3,2-DE]ISOQUINOLIN-5(1H)-ONE
【CAS】
【MDL】
MFCD01686932
【English Synonyms】
【Formula】
C10 H8 N2 O
【MolWeight】
172.186
【Inchi】
InChI=1S/C10H8N2O/c13-10-7-2-1-3-8-9(7)6(4-11-8)5-12-10/h1-4,11H,5H2,(H,12,13)
【InChIKey】
InChIKey=PYLXNOZFJZQGBX-UHFFFAOYSA-N
【SMILES】
c1cc2c3c(c1)[nH]cc3CNC2=O
【MOL File】
3,4-DIHYDRO-PYRROLO[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,4-DIHYDRO-PYRROLO[4,3,2-DE]ISOQUINOLIN-5(1H)-ONE.cml