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Structure & Deep Data of Nitrous oxide (N2O)

Identification of Nitrous oxide Chemical Compound

2D chemical structure image of nitrous oxide
Chemical Formula N2O
Molecular Weight 44.0128 g/mol
IUPAC Name nitrogen oxide
SMILES String O=N#N
InChI InChI=1S/N2O/c1-2-3
InChIKey GQPLMRYTRLFLPF-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The nitrous oxide molecule contains a total of 2 bond(s). There are 2 non-H bond(s), 2 multiple bond(s), 1 double bond(s), and 1 triple bond(s). Images of the chemical structure of nitrous oxide are given below:

2D chemical structure image of nitrous oxide
2-dimensional (2D) chemical structure image of nitrous oxide
3D chemical structure image of nitrous oxide
3-dimensional (3D) chemical structure image of nitrous oxide

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


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Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of nitrous oxide is provided here.

The nitrous oxide 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 nitrous oxide 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 nitrous oxide 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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  • CAS #: 64-17-5
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  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Deep Data Application Examples

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Additional Information for Identifying Nitrous oxide Molecule

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

    The SMILES string of nitrous oxide is O=N#N, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the nitrous oxide.

  • Structure Data File (SDF/MOL File) of nitrous oxide

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

  • Chemical formula of nitrous oxide

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

  • Molecular weight of nitrous oxide

    The molecular weight of nitrous oxide is available in molecular weight page of nitrous oxide, 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 nitrous oxide

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

    • NITROUS-OXIDE
    • N2O
    • Nitrous oxide (TN)
    • Nitrous oxide (JP15/USP)
    • D00102
    • oxyde nitreux
    • nitrogenium oxydulatum
    • Stickdioxyd [German]
    • Protoxyde d'azote [French]
    • Oxido nitroso [Spanish]
    • Nitrous oxide, refrigerated liquid [UN2201] [Nonflammable gas]
    • Nitrous oxide, refrigerated liquid
    • Nitrous oxide, compressed
    • Nitrous oxide [UN1070] [Nonflammable gas]
    • Nitrous oxide [JAN]
    • Nitrous oxide [Anaesthetics, volatile]
    • Nitrogen oxide (N2O)
    • Nitrogen hypoxide
    • Laughing gas
    • Hyponitrous acid anhydride
    • Factitious air
    • FEMA No. 2779
    • protoxyde d'azote
    • Dinitrogen oxide
    • Dinitrogen monoxide
    • gaz hilarant
    • diazyne 1-oxide
    • Stickstoff(I)-oxid
    • Lachgas
    • Distickstoffmonoxid
    • oxidodinitrogen(N--N)
    • 10024-97-2
    • 175876-44-5
    • 147527-07-9
    • 130835-71-1
    • 129451-49-6
    • 126386-65-0

Nitrous oxide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of nitrous oxide?
N2O
How many atoms and what are the elements included the nitrous oxide molecule?
3 atom(s) - 2 Nitrogen atom(s) and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the nitrous oxide structure?
2 bond(s) - 2 non-H bond(s), 2 multiple bond(s), 1 double bond(s), and 1 triple bond(s)
What’s the nitrous oxide’s molecular weight?
44.0128 g/mol
What’s the SMILES code of nitrous oxide?
O=N#N
What’s the InChI string of nitrous oxide?
InChI=1S/N2O/c1-2-3
What’s the InChIKey code of nitrous oxide?
GQPLMRYTRLFLPF-UHFFFAOYSA-N

19288 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).

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