Chemical Formula | C7H13N3O |
---|---|
Molecular Weight | 155.19762 g/mol |
IUPAC Name | (cyclohexylideneamino)urea |
SMILES String | NC(=O)NN=C1CCCCC1 |
InChI | InChI=1S/C7H13N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5H2,(H3,8,10,11) |
InChIKey | KZDDDHJBINUIKQ-UHFFFAOYSA-N |
Citation | CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network. |
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A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Cyclohexanone semicarbazone molecule contains a total of 24 bond(s). There are 11 non-H bond(s), 2 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 1 six-membered ring(s), 1 urea (-thio) derivative(s), and 1 hydrazone(s). Images of the chemical structure of Cyclohexanone semicarbazone are given below:
The 2D chemical structure image of Cyclohexanone semicarbazone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Cyclohexanone semicarbazone are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of Cyclohexanone semicarbazone is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Cyclohexanone semicarbazone. Download structure data file (SDF/MOL) file of this compound.
For a better understanding of the chemical structure, an interactive 3D visualization of Cyclohexanone semicarbazone is provided here.
The Cyclohexanone semicarbazone molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Cyclohexanone semicarbazone molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Cyclohexanone semicarbazone can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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