Marvin  05211011482D          

  9  9  0  0  0  0            999 V2000
   11.3699  -16.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3699  -17.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6554  -15.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6554  -17.4144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9409  -16.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9409  -17.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0844  -17.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0843  -18.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7989  -17.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
> <ID>
CHEBI:59534

> <NAME>
6-acetyl-1,2,3,4-tetrahydropyridine

> <DEFINITION>
A tetrahydropyridine bearing an acetyl group in the 6 position. It is the tautomer of CHEBI:59533

> <STAR>
3

> <SYNONYM>
2-Acetyltetrahydropyridine

> <IUPAC_NAME>
1-(1,4,5,6-tetrahydropyridin-2-yl)ethanone

> <FORMULA>
C7H11NO

> <MASS>
125.16830

> <MONOISOTOPIC_MASS>
125.08406

> <CHARGE>
0

> <SMILES>
CC(=O)C1=CCCCN1

> <INCHI>
InChI=1S/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h4,8H,2-3,5H2,1H3

> <INCHIKEY>
HRAOWRVFLSYJKN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1524359

> <CAS_REGISTRY_NUMBER>
25343-57-1

> <CHEMIDPLUS>
25343-57-1

$$$$