Structure & Deep Data of Reposal (C14H18N2O3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Reposal molecule contains a total of 39 bond(s). There are 21 non-H bond(s), 4 multiple bond(s), 2 rotatable bond(s), 4 double bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 seven-membered ring(s), 1 urea (-thio) derivative(s), and 2 imide(s) (-thio). Images of the chemical structure of Reposal are given below:

The 2D chemical structure image of Reposal is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Reposal 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 Reposal 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 Reposal. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Reposal Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Reposal

  The SMILES string of Reposal is CCC1(C(=O)NC(=O)NC1=O)C3=CC2CCC(C2)C3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Reposal.

• Structure Data File (SDF/MOL File) of Reposal

  The structure data file (SDF/MOL File) of Reposal is available for download in the SDF page of Reposal, which provides the information about the atoms, bonds, connectivity and coordinates of Reposal. The Reposal structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Reposal

  The molecular formula of Reposal is available in chemical formula page of Reposal, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Reposal

  The molecular weight of Reposal is available in molecular weight page of Reposal, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Reposal

  The Reposal compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Reposal including the various registry numbers, if available:

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-bicyclo(3.2.1)oct-2-en-3-yl-5-ethyl- (9CI)
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-bicyclo(3.2.1)oct-2-en-3-yl-5-ethyl-
  • 5-(3-bicyclo[3.2.1]oct-3-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione
  • 3T5TIX1AYI
  • 3625-25-0
  • 5-Bicyclo(3.2.1)oct-2-en-3-yl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • BARBITURIC ACID, 5-BICYCLO(3.2.1)OCT-2-EN-3-YL-5-ETHYL-
  • 5-Bicyclo(3,2,1)oct-2-en-2-yl-5-ethylbarbituric acid
  • 5-Ethyl-5-(bicyclo(3.2.1)octenyl)barbituric acid
  • Reposal novo

  • Reposamal
  • Reposal

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Reposal Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Reposal?
C14H18N2O3
How many atoms and what are the elements included the Reposal molecule?
37 atom(s) - 18 Hydrogen atom(s), 14 Carbon atom(s), 2 Nitrogen atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Reposal structure?
39 bond(s) - 21 non-H bond(s), 4 multiple bond(s), 2 rotatable bond(s), 4 double bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 seven-membered ring(s), 1 urea (-thio) derivative(s), and 2 imide(s) (-thio)
What’s the Reposal’s molecular weight?
262.30432 g/mol
What’s the SMILES code of Reposal?
CCC1(C(=O)NC(=O)NC1=O)C3=CC2CCC(C2)C3
What’s the InChI string of Reposal?
InChI=1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-8-3-4-9(5-8)7-10/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19)
What’s the InChIKey code of Reposal?
MKELYWOVSPVORM-UHFFFAOYSA-N

28 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).