Structure & Deep Data of Cupreine (C19H22N2O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Cupreine molecule contains a total of 48 bond(s). There are 26 non-H bond(s), 12 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 5 six-membered ring(s), 1 ten-membered ring(s), 1 tertiary amine(s) (aliphatic), 1 hydroxyl group(s), 1 aromatic hydroxyl(s), 1 secondary alcohol(s), and 1 Pyridine(s). Images of the chemical structure of Cupreine are given below:

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

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Additional Information for Identifying Cupreine Molecule

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

  The SMILES string of Cupreine is OC(C1CC2CCN1CC2C=C)c3ccnc4ccc(O)cc34, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Cupreine.

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

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

• Chemical formula of Cupreine

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

• Molecular weight of Cupreine

  The molecular weight of Cupreine is available in molecular weight page of Cupreine, 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 Cupreine

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

  • 4-[(R)-Hydroxy[(1R,4S,8S)-8-ethenyl-1-azabicyclo[2.2.2]octane]-2alpha-ylmethyl]quinoline-6-ol
  • 524-63-0
  • Cupreine

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Cupreine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Cupreine?
C19H22N2O2
How many atoms and what are the elements included the Cupreine molecule?
45 atom(s) - 22 Hydrogen atom(s), 19 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Cupreine structure?
48 bond(s) - 26 non-H bond(s), 12 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 5 six-membered ring(s), 1 ten-membered ring(s), 1 tertiary amine(s) (aliphatic), 1 hydroxyl group(s), 1 aromatic hydroxyl(s), 1 secondary alcohol(s), and 1 Pyridine(s)
What’s the Cupreine’s molecular weight?
310.39018 g/mol
What’s the SMILES code of Cupreine?
OC(C1CC2CCN1CC2C=C)c3ccnc4ccc(O)cc34
What’s the InChI string of Cupreine?
InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13-,18+,19-/m1/s1
What’s the InChIKey code of Cupreine?
VJFMSYZSFUWQPZ-UDORUHSDSA-N

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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).