3-acetyl-1-methylpyrrole

ScientificNameLabel

3-acetyl-1-methylpyrrole
PHCD compound ID :	2189
Chemical Names :	3-acetyl-1-methylpyrrole
Molecular Formula :	C7H9N1O1
Molecular Weight :	123.068414

More Details :

Names & Synonyms:	1-(1-methylpyrrol-3-yl)ethanone , 1-(1-methyl-3-pyrrolyl)ethanone
Smiles:	Cn1ccc(c1)C(=O)C
InChi :	InChI=1S/C7H9NO/c1-6(9)7-3-4-8(2)5-7/h3-5H,1-2H3
InChi Key :	InChIKey=SZYIVZGXCXFXDN-UHFFFAOYSA-N
PubChem ID :	523057

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.243372
Hydrogen bond donor count :	0	Electric dipole moment :	4.880
XLogP :	0.918	VDW volume :	118.249503
Molecular weight :	123.068414	HOMO-LUMO gap :	9.621000

Herb list :

white mulberry - Morus alba - توت سفید، توت هراتی

Refrences & Litretures:


257. Journal:'J. Agric. Food Chem' Year:'2012' Volume:'60' Page:'9097' DOI:'10.1021/jf301800x' Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'

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