3-Pentenenitrile

ScientificNameLabel

3-Pentenenitrile
PHCD compound ID :	2596
Chemical Names :	3-Pentenenitrile
Molecular Formula :	C5H7N1
Molecular Weight :	81.057849

More Details :

Names & Synonyms:	(E)-pent-3-enenitrile , (E)-3-pentenenitrile
Smiles:	C/C=C/CC#N
InChi :	InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3/b3-2+
InChi Key :	InChIKey=UVKXJAUUKPDDNW-NSCUHMNNSA-N
PubChem ID :	5324707

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.304406
Hydrogen bond donor count :	0	Electric dipole moment :	4.260
XLogP :	1.2	VDW volume :	98.123766
Molecular weight :	81.057849	HOMO-LUMO gap :	10.869000

Herb list :

White mustard - Sinapis alba - خردل سفید

Refrences & Litretures:


302. Journal:'Food Chemistry' Year:'2014' Volume:'165' Page:'560' DOI:'10.1016/j.foodchem.2014.05.126' Title:'Chemical composition, antimicrobial property and microencapsulation of Mustard (Sinapis alba) seed essential oil by complex coacervation'

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