2-acetyl-3,4,5,6-tetrahydropyridine

ScientificNameLabel

2-acetyl-3,4,5,6-tetrahydropyridine
PHCD compound ID :	4022
Chemical Names :	2-acetyl-3,4,5,6-tetrahydropyridine
Molecular Formula :	C7H11N1O1
Molecular Weight :	125.084064

More Details :

Names & Synonyms:	1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone
Smiles:	CC(=O)C1=NCCCC1
InChi :	InChI=1S/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h2-5H2,1H3
InChi Key :	InChIKey=GNZWXNKZMHJXNU-UHFFFAOYSA-N
PubChem ID :	520300

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.819942
Hydrogen bond donor count :	0	Electric dipole moment :	3.197
XLogP :	0.38	VDW volume :	131.785962
Molecular weight :	125.084064	HOMO-LUMO gap :	9.911000

Herb list :

Hazel, Filbert - Corylus avellana - فندق

Refrences & Litretures:


553. Journal:'J. Agric. Food Chem' Year:'2013' Volume:'61' Page:'5226' DOI:'10.1021/jf400807w' Title:'Sensomics Analysis of Key Hazelnut Odorants (Corylus avellana L.‘Tonda Gentile’) Using Comprehensive Two-Dimensional Gas Chromatography in Combination with Time-of-Flight Mass Spectrometry (GC×GC-TOF-MS)'

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