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Formula of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane (C13H22N2O3)

Identification of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane Chemical Compound

2D chemical structure image of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane
Chemical Formula C13H22N2O3
Molecular Weight 254.32538 g/mol
IUPAC Name tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILES String CC(C)(C)OC(=O)N2CCC(=O)C1(CCNC1)C2
InChI InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-7-4-10(16)13(9-15)5-6-14-8-13/h14H,4-9H2,1-3H3
InChIKey OTVWZPBRDNHFQV-UHFFFAOYSA-N

Chemical Formula Description

The 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane molecule contains a total of 40 atom(s). There are 22 Hydrogen atom(s), 13 Carbon atom(s), 2 Nitrogen atom(s), and 3 Oxygen atom(s). A chemical formula of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane can therefore be written as:

C13H22N2O3

The chemical formula of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane 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.

3D chemical structure image of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane
Ball-and-stick model of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane

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Additional Information for Identifying 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane Molecule

  • InChI (IUPAC International Chemical Identifier) information of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane is:

    InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-7-4-10(16)13(9-15)5-6-14-8-13/h14H,4-9H2,1-3H3

    It can provide a standard way to encode the molecular information of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane 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 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane is:

    InChIKey=OTVWZPBRDNHFQV-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane, but it needs to be linked to the full InChI to get back to the original structure of the 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane

    The 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane including the registry numbers is given below, if available:

    • Q-4679
    • 1363380-92-0
    • 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane

7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane?
C13H22N2O3
How many atoms and what are they in the 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane structure?
40 atom(s) - 22 Hydrogen atom(s), 13 Carbon atom(s), 2 Nitrogen atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what are they in the 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane structure?
41 bond(s) - 19 non-H bond(s), 2 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 (thio-) carbamate(s) (aliphatic), 1 ketone(s) (aliphatic), 1 secondary amine(s) (aliphatic), and 1 Pyrrolidine(s)
What’s the molecular weight of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane?
254.32538 g/mol
What’s the SMILES string of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane?
CC(C)(C)OC(=O)N2CCC(=O)C1(CCNC1)C2
What’s the InChI of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane?
InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-7-4-10(16)13(9-15)5-6-14-8-13/h14H,4-9H2,1-3H3
What’s the InChIKey of 7-Boc-10-oxo-2,7-diaza-spiro[4.5]decane?
OTVWZPBRDNHFQV-UHFFFAOYSA-N

37 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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