Chemical Identity and Nomenclature

This compound is a synthetic organic compound with the molecular formula C₁₃H₁₄N₂O and a molecular weight of 214.26-214.268 grams per mole. The compound is registered under the Chemical Abstracts Service number 225378-53-0, providing a unique identifier for chemical databases and regulatory purposes. The International Union of Pure and Applied Chemistry name for this compound is 2-(2-tert-butyl-6-methylpyran-4-ylidene)propanedinitrile, reflecting the systematic nomenclature conventions for organic compounds.

The compound exists under several synonymous names in chemical literature, including 4-(dicyanomethylene)-2-(t-butyl)-6-methyl-4H-pyran, 2-(2-tert-Butyl-6-methylpyran-4-ylidene)malononitrile, and propanedinitrile, 2-[2-(1,1-dimethylethyl)-6-methyl-4H-pyran-4-ylidene]. These various nomenclature systems reflect different approaches to naming the compound based on its structural features, with some emphasizing the pyran ring system and others highlighting the dicyanomethylene functionality. The monoisotopic mass of the compound has been determined to be 214.110613, providing precise mass spectral identification capabilities.

The structural complexity of this compound encompasses several key functional groups that contribute to its unique chemical properties. The molecule contains a 4H-pyran ring system as its central heterocyclic core, substituted with a tert-butyl group at the 2-position and a methyl group at the 6-position. The ylidene functionality connects this pyran system to a malononitrile group, creating a push-pull chromophore structure that significantly influences the compound's photophysical behavior.