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ScientificNameLabel
2-Pyrrolidinone
PHCD compound ID : 2603
Chemical Names :
2-Pyrrolidinone
Molecular Formula : C4H7N1O1
Molecular Weight : 85.052764
More Details :
Names & Synonyms: pyrrolidin-2-one , 2-pyrrolidinone , 2-pyrrolidone
Smiles: O=C1CCCN1
InChi : InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChi Key : InChIKey=HNJBEVLQSNELDL-UHFFFAOYSA-N
PubChem ID : 12025
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.701900
Hydrogen bond donor count : 1 Electric dipole moment : 4.517
XLogP : -0.312 VDW volume : 82.534467
Molecular weight : 85.052764 HOMO-LUMO gap : 11.199000
Herb list :
Refrences & Litretures:
  
303.      Journal:'Chemistry of Natural Compounds'      Year:'2013'      Volume:'49'      Page:'557'      DOI:''      Title:'CHEMICAL COMPOSITION OF MACERATED PLANT PARTS OF WHITE MUSTARD Sinapis alba'
923.      Journal:'Letters in Applied NanoBioScience'      Year:'2020'      Volume:'9'      Page:'849'      DOI:'10.33263/LIANBS91.849852'      Title:'Chemical composition and antibacterial activity of methanolic extract from Echinops robustus on typical food-borne pathogens'
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