116564-73-9
11-METHOXY-7-METHYL-1,2,3,10,11,11A-HEXAHYDRO-5H-PYRROLO(2,1-C)(1,4)BE NZODIAZEPIN-5-ONE
Name11-METHOXY-7-METHYL-1,2,3,10,11,11A-HEXAHYDRO-5H-PYRROLO(2,1-C)(1,4)BE NZODIAZEPIN-5-ONE
1Identification
【Name】
11-METHOXY-7-METHYL-1,2,3,10,11,11A-HEXAHYDRO-5H-PYRROLO(2,1-C)(1,4)BE NZODIAZEPIN-5-ONE
【CAS】
【MDL】
MFCD01687025
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H18 N2 O2
【pro_molWeight】
246.308
【Inchi】
InChI=1S/C14H18N2O2/c1-9-5-6-11-10(8-9)14(17)16-7-3-4-12(16)13(15-11)18-2/h5-6,8,12-13,15H,3-4,7H2,1-2H3
【InChIKey】
InChIKey=JDVBSBADDFBZHE-UHFFFAOYSA-N
【SMILES】
Cc1ccc2c(c1)C(=O)N3CCCC3C(N2)OC
【MOL File】
11-METHOXY-7-METHYL-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
11-METHOXY-7-METHYL-1,2,3,10,11,11A-HEXAHYDRO-5H-PYRROLO(2,1-C)(1,4)BE NZODIAZEPIN-5-ONE.cml