Formula of MFCD11226436 (C10H15NO)
Identification of MFCD11226436 Chemical Compound
| Chemical Formula | C10H15NO |
|---|---|
| Molecular Weight | 165.2322 g/mol |
| IUPAC Name | N-[(1E,5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ylidene]hydroxylamine |
| SMILES String | CC(=C)C1CC=C(C)C(C1)=NO |
| InChI | InChI=1S/C10H15NO/c1-7(2)9-5-4-8(3)10(6-9)11-12/h4,9,12H,1,5-6H2,2-3H3/b11-10+/t9-/m0/s1 |
| InChIKey | JOAADLZWSUDMHZ-YHTNPHCKSA-N |
Chemical Formula Description
The MFCD11226436 molecule contains a total of 27 atom(s). There are 15 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s). A chemical formula of MFCD11226436 can therefore be written as:
C10H15NO
The chemical formula of MFCD11226436 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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying MFCD11226436 Molecule
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Structure Data File (SDF/MOL File) of MFCD11226436
The structure data file (SDF/MOL File) of MFCD11226436 is available for download in the SDF page of MFCD11226436 providing the information about the atoms, bonds, connectivity and coordinates of MFCD11226436, which is not completely available in the chemical formula representation. The MFCD11226436 structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of MFCD11226436
The chemical structure image of MFCD11226436 is available in chemical structure page of MFCD11226436, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of MFCD11226436 and the chemical bonds that hold the atoms together.
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Molecular weight of MFCD11226436
The molecular weight of MFCD11226436 is available in molecular weight page of MFCD11226436, 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 MFCD11226436.
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InChI (IUPAC International Chemical Identifier) information of MFCD11226436
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of MFCD11226436 is:
InChI=1S/C10H15NO/c1-7(2)9-5-4-8(3)10(6-9)11-12/h4,9,12H,1,5-6H2,2-3H3/b11-10+/t9-/m0/s1
It can provide a standard way to encode the molecular information of MFCD11226436 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 MFCD11226436 is:
InChIKey=JOAADLZWSUDMHZ-YHTNPHCKSA-N
The InChIKey may allow easier web searches for MFCD11226436, but it needs to be linked to the full InChI to get back to the original structure of the MFCD11226436 since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of MFCD11226436
The MFCD11226436 compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of MFCD11226436 including the registry numbers is given below, if available:
- (NE)-N-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydroxylamine
- MFCD11226436
MFCD11226436 Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of MFCD11226436? |
|---|
| C10H15NO |
| How many atoms and what are they in the MFCD11226436 structure? |
| 27 atom(s) - 15 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what are they in the MFCD11226436 structure? |
| 27 bond(s) - 12 non-H bond(s), 3 multiple bond(s), 1 rotatable bond(s), 3 double bond(s), 1 six-membered ring(s), 1 oxime(s) (aliphatic), and 1 hydroxyl group(s) |
| What’s the molecular weight of MFCD11226436? |
| 165.2322 g/mol |
| What’s the SMILES string of MFCD11226436? |
| CC(=C)C1CC=C(C)C(C1)=NO |
| What’s the InChI of MFCD11226436? |
| InChI=1S/C10H15NO/c1-7(2)9-5-4-8(3)10(6-9)11-12/h4,9,12H,1,5-6H2,2-3H3/b11-10+/t9-/m0/s1 |
| What’s the InChIKey of MFCD11226436? |
| JOAADLZWSUDMHZ-YHTNPHCKSA-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).