C5H6N2O2

C5H6N2O2 is the molecular formula of several distinct organic compounds. It specifies that a molecule contains five carbon atoms, six hydrogen atoms, two nitrogen atoms, and two oxygen atoms. Because multiple structural isomers share this formula, C5H6N2O2 does not designate a single compound.

The formula corresponds to a nominal molecular mass of about 126.04 g/mol. The exact monoisotopic mass depends on the isotopic composition of the atoms but is approximately 126.0429 amu. The degree of unsaturation (DBE) for C5H6N2O2 is calculated as 4, indicating a combination of rings and/or multiple bonds within possible isomers.

Possible isomeric classes include various nitrogen- and oxygen-containing heterocycles and acyclic structures built on a five-carbon backbone. The two nitrogen atoms and two oxygen atoms may occupy different positions, giving rise to a range of structural motifs with different reactivities and properties.

Determining the exact structure of a sample with this formula relies on spectroscopic data such as 1H and 13C NMR, infrared spectroscopy, and high-resolution mass spectrometry, as well as comparison to reference compounds. Databases catalog individual compounds that share the same molecular formula, along with their SMILES and InChI strings.

In research and industry, compounds with the C5H6N2O2 formula may appear as intermediates in organic synthesis, or as candidate scaffolds in medicinal chemistry or materials science. The specific applications depend on the precise arrangement of atoms in each isomer.

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