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3-(1-Methyl-2-pyrrolidinyl)-pyridine
ScientificNameLabel
3-(1-Methyl-2-pyrrolidinyl)-pyridine
PHCD compound ID :
940
Chemical Names :
3-(1-Methyl-2-pyrrolidinyl)-pyridine
Molecular Formula :
C10H14N2
Molecular Weight :
162.115698
More Details :
Names & Synonyms:
3-(1-methylpyrrolidin-2-yl)pyridine , 3-(1-methyl-2-pyrrolidinyl)pyridine , nicotine
Smiles:
CN1CCC[C@@H]1c1cccnc1
InChi :
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1
InChi Key :
InChIKey=SNICXCGAKADSCV-SNVBAGLBSA-N
PubChem ID :
942
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
8.945071
Hydrogen bond donor count :
0
Electric dipole moment :
3.529
XLogP :
0.274
VDW volume :
159.987532
Molecular weight :
162.115698
HOMO-LUMO gap :
8.955000
Herb list :
Thyme, Garden thyme - Thymus vulgaris - آويشن باغی
Refrences & Litretures:
74. Journal:'Food Chemistry' Year:'1998' Volume:'63' Page:'373' DOI:'' Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
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