Download Structure Data File(SDF/Mol File) of Heptanamide (C7H15NO)

Identification of Heptanamide Chemical Compound

2D chemical structure image of Heptanamide
Chemical Formula C7H15NO
Molecular Weight 129.2001 g/mol
IUPAC Name heptanamide
SMILES String CCCCCCC(N)=O
InChI InChI=1S/C7H15NO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H2,8,9)
InChIKey AEDIXYWIVPYNBI-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of Heptanamide is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Heptanamide molecule. It starts with a header block, followed by "connection table“, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

Ball-and-stick model of Heptanamide
Ball-and-stick model of Heptanamide

Additional Information for Identifying Heptanamide Molecule

  • Chemical structure of Heptanamide

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Heptanamide is available in chemical structure page of Heptanamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of Heptanamide

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

  • Chemical formula of Heptanamide

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

  • InChI (IUPAC International Chemical Identifier) information of Heptanamide

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of Heptanamide is:

    InChI=1S/C7H15NO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H2,8,9)

    It can provide a standard way to encode the molecular information of Heptanamide to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Heptanamide is:

    InChIKey=AEDIXYWIVPYNBI-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for Heptanamide, but it needs to be linked to the full InChI to get back to the original structure of the Heptanamide since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of Heptanamide

    The Heptanamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Heptanamide including the registry numbers are listed below, if available:

    • Heptanamide
    • Enanthamide
    • 628-62-6
    • Enanthic acid amide
    • Heptamide
    • HPN
    • octanoylamide
    • heptanoic acid amide
    • 6QX6H3415T
    • A834043
    • S05-0150

Heptanamide Identification Summary Frequently Asked Questions (FAQs)

  • What’s the Heptanamide formula?

    C7H15NO
  • How many atoms and what elements are included in the Heptanamide molecule?

    24 atom(s) – 15 Hydrogen atom(s), 7 Carbon atom(s), 1 Nitrogen atom(s) and 1 Oxygen atom(s)
  • How many chemical bonds and what kind of bonds are in the Heptanamide structure?

    23 bond(s) – 8 non-H bond(s), 1 multiple bond(s), 5 rotatable bond(s), 1 double bond(s) and 1 primary amide(s) (aliphatic)
  • What’s the Heptanamide’s molar mass?

    129.2001 g/mol
  • What’s the SMILES structure of Heptanamide?

    CCCCCCC(N)=O
  • What’s the InChI code of Heptanamide?

    InChI=1S/C7H15NO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H2,8,9)
  • What’s the InChIKey format of Heptanamide?

    AEDIXYWIVPYNBI-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
Please hyperlink "Mol-Instincts" to www.molinstincts.com.