856436-16-3
5-PYRIDIN-3-YL-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-INDOL-2-ONE
Name5-PYRIDIN-3-YL-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-INDOL-2-ONE
1Identification
【Name】
5-PYRIDIN-3-YL-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-INDOL-2-ONE
【CAS】
【MDL】
MFCD13191285
【English Synonyms】
【Formula】
C18 H13 N3 O
【MolWeight】
287.321
【Inchi】
InChI=1S/C18H13N3O/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13/h1-11,20H,(H,21,22)/b16-10+
【InChIKey】
InChIKey=IQNTXIMXKCURDC-MHWRWJLKSA-N
【SMILES】
c1cc([nH]c1)/C=C/2\c3cc(ccc3NC2=O)c4cccnc4
【MOL File】
5-PYRIDIN-3-YL-3-(1H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-PYRIDIN-3-YL-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-INDOL-2-ONE.cml