Structure & Deep Data of Ecgonidine ethyl ester (C11H17NO2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Ecgonidine ethyl ester molecule contains a total of 32 bond(s). There are 15 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 seven-membered ring(s), 1 ester(s) (aliphatic), 1 tertiary amine(s) (aliphatic), and 1 Pyrrolidine(s). Images of the chemical structure of Ecgonidine ethyl ester are given below:

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

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Additional Information for Identifying Ecgonidine ethyl ester Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Ecgonidine ethyl ester

  The SMILES string of Ecgonidine ethyl ester is CCOC(=O)C1=CCC2CCC1N2C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Ecgonidine ethyl ester.

• Structure Data File (SDF/MOL File) of Ecgonidine ethyl ester

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

• Chemical formula of Ecgonidine ethyl ester

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

• Molecular weight of Ecgonidine ethyl ester

  The molecular weight of Ecgonidine ethyl ester is available in molecular weight page of Ecgonidine ethyl ester, 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 Ecgonidine ethyl ester

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

  • ethyl trop-2-ene-2-carboxylate
  • ethyl trop 2-ene-2-carboxylate
  • Ecgonidine ethyl ester

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Ecgonidine ethyl ester Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Ecgonidine ethyl ester?
C11H17NO2
How many atoms and what are the elements included the Ecgonidine ethyl ester molecule?
31 atom(s) - 17 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Ecgonidine ethyl ester structure?
32 bond(s) - 15 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 seven-membered ring(s), 1 ester(s) (aliphatic), 1 tertiary amine(s) (aliphatic), and 1 Pyrrolidine(s)
What’s the Ecgonidine ethyl ester’s molecular weight?
195.25818 g/mol
What’s the SMILES code of Ecgonidine ethyl ester?
CCOC(=O)C1=CCC2CCC1N2C
What’s the InChI string of Ecgonidine ethyl ester?
InChI=1S/C11H17NO2/c1-3-14-11(13)9-6-4-8-5-7-10(9)12(8)2/h6,8,10H,3-5,7H2,1-2H3/t8-,10-/m1/s1
What’s the InChIKey code of Ecgonidine ethyl ester?
YNQKCHQJQNRNHW-PSASIEDQSA-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).