2-propionyl-1-pyrroline

ScientificNameLabel

2-propionyl-1-pyrroline
PHCD compound ID :	4017
Chemical Names :	2-propionyl-1-pyrroline
Molecular Formula :	C7H11N1O1
Molecular Weight :	125.084064

More Details :

Names & Synonyms:	1-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-one , 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-propanone , 1-(1-pyrrolin-2-yl)propan-1-one
Smiles:	CCC(=O)C1=NCCC1
InChi :	InChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h2-5H2,1H3
InChi Key :	InChIKey=OVNCGQSYSSYBPO-UHFFFAOYSA-N
PubChem ID :	529251

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.213328
Hydrogen bond donor count :	0	Electric dipole moment :	2.461
XLogP :	0.275	VDW volume :	131.785962
Molecular weight :	125.084064	HOMO-LUMO gap :	10.045000

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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