Molecule Editor

Molecule ID: FYI-1016204 Edit

Molecule Structure InChIKey: JAYMBAADTILVBQ-VKHMYHEASA-N

Molecule Structure SMILES String: N[C@H]1CCN(P(N)(N)=O)C1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016204
FYIcenter.com

 11 11  0  0  1  0  0  0  0  0999 V2000
    6.2128    2.4170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0004    1.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7215    2.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    1.2460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846    0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    0.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.3923    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5386    2.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4303    3.6559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  3  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016204-3D
FYIcenter.com

 22 22  0     1  0  0  0  0  0999 V2000
   -1.8369   -0.1316   -0.0465 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.7080   -1.8793    0.1291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448   -1.5962   -0.2308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1898    0.2923    0.0856 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1980   -0.5451   -0.3962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5282    0.5401    1.2895 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3802    0.7734   -1.3698 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7867    1.4838   -0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1294    0.0924    0.3504 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3267    1.6338    0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8311   -0.6637    0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    2.2698    0.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8878    1.5239   -1.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3615    0.1244    1.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2029    2.3183   -0.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2073    1.9592    1.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4031   -1.4580    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0518    0.0045   -0.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1948    0.2204    2.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5455    0.5246    1.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3194    1.7860   -1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9471    0.5499   -2.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 11  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$