53375-23-8
8,9,10,11-TETRAHYDRO-3-METHYL-1H,7H-CYCLOHEPTA(4,5-B)PYRROLO(1,2,3-DE)QUINOXALIN-2(3H)-ONE
Name8,9,10,11-TETRAHYDRO-3-METHYL-1H,7H-CYCLOHEPTA(4,5-B)PYRROLO(1,2,3-DE)QUINOXALIN-2(3H)-ONE
1Identification
【Name】
8,9,10,11-TETRAHYDRO-3-METHYL-1H,7H-CYCLOHEPTA(4,5-B)PYRROLO(1,2,3-DE)QUINOXALIN-2(3H)-ONE
【CAS】
【MDL】
MFCD01734268
【English Synonyms】
【Formula】
C16 H18 N2 O
【MolWeight】
254.331
【Inchi】
InChI=1S/C16H18N2O/c1-17-14-9-5-7-12-11-6-3-2-4-8-13(11)18(16(12)14)10-15(17)19/h5,7,9H,2-4,6,8,10H2,1H3
【InChIKey】
InChIKey=KGNTWJQPRZWYQW-UHFFFAOYSA-N
【SMILES】
CN1c2cccc3c2n(c4c3CCCCC4)CC1=O
【MOL File】
8,9,10,11-TETRAHYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8,9,10,11-TETRAHYDRO-3-METHYL-1H,7H-CYCLOHEPTA(4,5-B)PYRROLO(1,2,3-DE)QUINOXALIN-2(3H)-ONE.cml