Molecule FYI-1011989

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A

Molecule Summary:

ID: FYI-1011989
Names:
InChIKey: BURVJORJCKTFIO-UHFFFAOYSA-N
SMILES: O=C1CCC(=O)NCCCCCCCCCCN1

Received at FYIcenter.com on: 2024-08-14

Molecule ID: FYI-1011989 Edit

Molecule Structure InChIKey: BURVJORJCKTFIO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCC(=O)NCCCCCCCCCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1011989
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  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
  7  6  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
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17  1  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011989-3D
FYIcenter.com

 44 44  0  0  0  0  0  0  0  0999 V2000
    1.0076   -0.0265    0.2714 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    0.0265    0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9436    1.3427   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0124    1.8883    1.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1936    2.7854    1.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0964    2.9831    0.8328 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2279    3.2091    2.9541 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3753    2.8179    3.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9939    1.5982    4.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1956    0.9589    5.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8535   -0.3584    6.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0501   -1.6193    5.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8168   -2.0418    4.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1110   -3.2836    3.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9168   -3.7889    2.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7897   -3.1360    1.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8311   -1.9554    1.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -1.0665    0.1531 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053    2.0224   -0.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9382    1.1801   -0.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1320    1.0508    2.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0786    2.3921    1.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3458    3.2104    3.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6578    3.6636    4.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2141    2.5707    3.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4893    0.8626    3.9717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2587    1.9030    5.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5768    1.6689    6.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0045    0.7976    4.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8446   -0.3301    6.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5440   -0.4458    6.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3073   -2.4478    5.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9097   -1.4850    4.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5006   -1.2251    3.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9899   -2.2577    5.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4208   -4.0911    4.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9656   -3.0862    2.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9831   -3.6988    3.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0767   -4.8619    2.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4074   -3.8782    0.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7782   -2.8426    0.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9677   -1.3430    2.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890   -2.2935    1.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0192   -0.9111   -0.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
M  END
$$$$

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