Molecule FYI-1006355

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A

Molecule Summary:

ID: FYI-1006355
Names:
InChIKey: BAHZUGHIFPYDJT-UHFFFAOYSA-N
SMILES: NC(=O)C1(C(N)=O)CCCCC1

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006355 Edit

Molecule Structure InChIKey: BAHZUGHIFPYDJT-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)C1(C(N)=O)CCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006355
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.4281    4.3985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.2679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.7361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7783    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1502    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4009    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006355-3D
FYIcenter.com

 26 26  0     0  0  0  0  0  0999 V2000
   -1.9535   -1.7244   -0.5429 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0249    2.1905    0.4939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3378   -0.2892    1.2140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1756    1.5859   -1.3736 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2400   -0.1473    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5350   -0.3396    1.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934   -0.8034   -1.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0073    0.0578    1.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648   -0.3975   -1.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969   -0.6445    0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5821   -0.8121    0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.3237   -0.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4851   -1.3950    1.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0929    0.2298    2.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0103   -0.5942   -2.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4665   -1.8970   -1.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5193   -0.2068    2.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1191    1.1412    1.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0422    0.6623   -1.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4522   -0.9643   -2.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7318   -0.2935   -0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7407   -1.7227    0.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2607   -0.6599    1.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0336    0.4896    1.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3692    2.5419   -1.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5821    0.8590   -1.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 11  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 12  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 412👍, 0💬