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ScientificNameLabel
2-Acetyl-1-pyrroline
PHCD compound ID : 3972
Chemical Names :
2-Acetyl-1-pyrroline
Molecular Formula : C6H9N1O1
Molecular Weight : 111.068414
More Details :
Names & Synonyms: 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone , 1-(1-pyrrolin-2-yl)ethanone
Smiles: CC(=O)C1=NCCC1
InChi : InChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3
InChi Key : InChIKey=DQBQWWSFRPLIAX-UHFFFAOYSA-N
PubChem ID : 522834
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.340871
Hydrogen bond donor count : 0 Electric dipole moment : 2.706
XLogP : 0.022 VDW volume : 114.489977
Molecular weight : 111.068414 HOMO-LUMO gap : 10.152000
Herb list :
Refrences & Litretures:
  
544.      Journal:'International Journal of Food Properties'      Year:'2013'      Volume:'16'      Page:'18'      DOI:'10.1080/10942912.2010.513616'      Title:'Pakistani Bell Pepper (Capsicum annum L.): Chemical Compositions and its Antioxidant Activity'
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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