21357-21-1
5,6,7,8-TETRAHYDRO-1-METHYL-PYRROLO[3,2-C]AZEPIN-4(1H)-ONE
Name5,6,7,8-TETRAHYDRO-1-METHYL-PYRROLO[3,2-C]AZEPIN-4(1H)-ONE
1Identification
【Name】
5,6,7,8-TETRAHYDRO-1-METHYL-PYRROLO[3,2-C]AZEPIN-4(1H)-ONE
【CAS】
【MDL】
MFCD13178629
【English Synonyms】
【Formula】
C9 H12 N2 O
【MolWeight】
164.207
【Inchi】
InChI=1S/C9H12N2O/c1-11-6-4-7-8(11)3-2-5-10-9(7)12/h4,6H,2-3,5H2,1H3,(H,10,12)
【InChIKey】
InChIKey=DUFIAXHZRAISJZ-UHFFFAOYSA-N
【SMILES】
Cn1ccc2c1CCCNC2=O
【MOL File】
5,6,7,8-TETRAHYDRO-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5,6,7,8-TETRAHYDRO-1-METHYL-PYRROLO[3,2-C]AZEPIN-4(1H)-ONE.cml