Molecule FYI-1001702

Home > Molecule

A

Molecule Summary:

ID: FYI-1001702
SMILES: CCO[C@]1([N-]C)CCC1

Received at FYIcenter.com on: 2022-11-14

Molecule ID: FYI-1001702 Edit

Molecule Structure SMILES String: CCO[C@]1([N-]C)CCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001702
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.1396    4.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9270    3.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9270    2.0523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254    0.4999    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.1187    1.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    0.0000    0.0000 C   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  6  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001702-3D
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.8000    0.0116    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2712    0.0681   -0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.0104    0.5657 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    1.2002    0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    1.6876   -1.0137 N   0  5  0  0  0  0  0  0  0  0  0  0
    6.0407    1.9107   -1.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2254    0.0102    0.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1075    0.9810    1.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0149    2.0498    1.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2833   -0.7473   -0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3244    0.9816   -0.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6699   -0.2197    1.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3757    0.3672   -1.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7253   -0.9185   -0.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1048    2.2582   -2.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6553    1.0066   -1.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5293    2.6851   -0.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7414   -0.5759    0.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6901   -0.6985    1.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547    1.2312    1.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3208    0.6784    2.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3712    3.0488    1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3921    2.1553    2.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-21, 1396👍, 0💬