97214-25-0
3-OXO-4-(1,3,3-TRIMETHYL-1,3-DIHYDRO-INDOL-2-YLIDENE)-BUTYRONITRILE
Name3-OXO-4-(1,3,3-TRIMETHYL-1,3-DIHYDRO-INDOL-2-YLIDENE)-BUTYRONITRILE
1Identification
【Name】
3-OXO-4-(1,3,3-TRIMETHYL-1,3-DIHYDRO-INDOL-2-YLIDENE)-BUTYRONITRILE
【CAS】
【MDL】
MFCD06660585
【English Synonyms】
【Formula】
C15 H16 N2 O
【MolWeight】
240.304
【Inchi】
InChI=1S/C15H16N2O/c1-15(2)12-6-4-5-7-13(12)17(3)14(15)10-11(18)8-9-16/h4-7,10H,8H2,1-3H3/b14-10-
【InChIKey】
InChIKey=FFYNSCICOOBTIU-UVTDQMKNSA-N
【SMILES】
CC\1(c2ccccc2N(/C1=C\C(=O)CC#N)C)C
【MOL File】
3-OXO-4-(1,3,3-TRIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-OXO-4-(1,3,3-TRIMETHYL-1,3-DIHYDRO-INDOL-2-YLIDENE)-BUTYRONITRILE.cml