Mrv0541 04131510512D          

 13 14  0  0  0  0            999 V2000
   11.4347   -2.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1491   -2.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1491   -3.7003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4347   -3.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8636   -2.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8636   -3.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2476   -2.5329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8308   -1.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6558   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2502   -3.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9133   -2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5784   -2.0503    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7834   -1.8430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  4  2  0  0  0  0
  3  4  1  0  0  0  0
  5  2  2  0  0  0  0
 12  5  1  0  0  0  0
  6  5  1  0  0  0  0
  3  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  1  0  0  0  0
 10  7  1  0  0  0  0
 12  8  1  0  0  0  0
  8  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 13  1  6  0  0  0
M  END
> <ID>
CHEBI:39162

> <NAME>
(R)-nicotine

> <DEFINITION>
A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has R-configuration.

> <STAR>
3

> <SYNONYM>
pseudonicotine; d-nicotine; (R)-3-(1-methyl-2-pyrrolidinyl)pyridine; (+)-nicotine

> <IUPAC_NAME>
3-[(2R)-1-methylpyrrolidin-2-yl]pyridine

> <FORMULA>
C10H14N2

> <MASS>
162.23160

> <MONOISOTOPIC_MASS>
162.11570

> <CHARGE>
0

> <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

> <INCHIKEY>
SNICXCGAKADSCV-SNVBAGLBSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
82110

> <CAS_REGISTRY_NUMBER>
25162-00-9

> <CHEMIDPLUS>
25162-00-9

> <KEGG_COMPOUND_ACCESSION>
C16386

$$$$