Formula of Heptanamide (C7H15NO)
Identification of Heptanamide Chemical Compound
Chemical Formula | C7H15NO |
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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 |
Chemical Formula Description
The Heptanamide molecule contains a total of 24 atom(s). There are 15 Hydrogen atom(s), 7 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s). A chemical formula of Heptanamide can therefore be written as:
C7H15NO
The chemical formula of Heptanamide shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Heptanamide Molecule
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Structure Data File (SDF/MOL File) of Heptanamide
The structure data file (SDF/MOL File) of Heptanamide is available for download in the SDF page of Heptanamide providing the information about the atoms, bonds, connectivity and coordinates of Heptanamide, which is not completely available in the chemical formula representation. The Heptanamide structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Heptanamide
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 in the chemical formula of Heptanamide and the chemical bonds that hold the atoms together.
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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 weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Heptanamide.
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InChI (IUPAC International Chemical Identifier) information of Heptanamide
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information 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.
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Other names (synonyms) or registry numbers of Heptanamide
The Heptanamide compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Heptanamide including the registry numbers is given below, if available:
- S05-0150
- A834043
- 6QX6H3415T
- heptanoic acid amide
- octanoylamide
- HPN
- Heptamide
- Enanthic acid amide
- 628-62-6
- Enanthamide
Heptanamide Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Heptanamide? |
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C7H15NO |
How many atoms and what are they in the Heptanamide structure? |
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 are they 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 molecular weight of Heptanamide? |
129.2001 g/mol |
What’s the SMILES string of Heptanamide? |
CCCCCCC(N)=O |
What’s the InChI of Heptanamide? |
InChI=1S/C7H15NO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H2,8,9) |
What’s the InChIKey of Heptanamide? |
AEDIXYWIVPYNBI-UHFFFAOYSA-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).