59718-16-0
4,5,7,8-TETRAHYDRO-1,3,5-TRIMETHYL-CYCLOHEPTA[C]PYRROL-6(2H)-ONE
Name4,5,7,8-TETRAHYDRO-1,3,5-TRIMETHYL-CYCLOHEPTA[C]PYRROL-6(2H)-ONE
1Identification
【Name】
4,5,7,8-TETRAHYDRO-1,3,5-TRIMETHYL-CYCLOHEPTA[C]PYRROL-6(2H)-ONE
【CAS】
【MDL】
MFCD21362930
【English Synonyms】
【Formula】
C12 H17 N O
【MolWeight】
191.272
【Inchi】
InChI=1S/C12H17NO/c1-7-6-11-9(3)13-8(2)10(11)4-5-12(7)14/h7,13H,4-6H2,1-3H3
【InChIKey】
InChIKey=JAIFHCKRDPEXSO-UHFFFAOYSA-N
【SMILES】
Cc1c2c(c([nH]1)C)CC(C(=O)CC2)C
【MOL File】
4,5,7,8-TETRAHYDRO-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,5,7,8-TETRAHYDRO-1,3,5-TRIMETHYL-CYCLOHEPTA[C]PYRROL-6(2H)-ONE.cml