This review discusses the rational design of organic electrocatalysts for hydrogen and oxygen electrocatalytic applications. Organic electrocatalysts are cost-effective alternatives to noble-metal-based catalysts but require further understanding of their structure-activity relationships to enhance their performance. The review categorizes organic electrocatalysts into four types: small molecules, oligomers, polymers, and organic frameworks. Each type has unique properties that influence their electrocatalytic activity. Strategies such as integrated structures, surface property modulation, membrane technologies, electrolyte affinity regulation, and addition of anticorrosion species are discussed to improve charge efficiency, mass transfer, and long-term stability during electrocatalytic reactions. The review highlights the advantages of organic electrocatalysts, including their environmental-friendliness, recyclability, and tunable properties. It also discusses the electrocatalytic mechanisms of various organic compounds, including small organic molecules, oligomers, polymers, and organic frameworks. The review emphasizes the importance of understanding the structure-activity relationships of organic electrocatalysts to develop more efficient and sustainable electrocatalysts for green energy conversion technologies. The review provides a comprehensive overview of the current state of organic electrocatalysts and their practical applications, bridging the understanding gap and paving the way for future developments of more efficient green energy conversion technologies.This review discusses the rational design of organic electrocatalysts for hydrogen and oxygen electrocatalytic applications. Organic electrocatalysts are cost-effective alternatives to noble-metal-based catalysts but require further understanding of their structure-activity relationships to enhance their performance. The review categorizes organic electrocatalysts into four types: small molecules, oligomers, polymers, and organic frameworks. Each type has unique properties that influence their electrocatalytic activity. Strategies such as integrated structures, surface property modulation, membrane technologies, electrolyte affinity regulation, and addition of anticorrosion species are discussed to improve charge efficiency, mass transfer, and long-term stability during electrocatalytic reactions. The review highlights the advantages of organic electrocatalysts, including their environmental-friendliness, recyclability, and tunable properties. It also discusses the electrocatalytic mechanisms of various organic compounds, including small organic molecules, oligomers, polymers, and organic frameworks. The review emphasizes the importance of understanding the structure-activity relationships of organic electrocatalysts to develop more efficient and sustainable electrocatalysts for green energy conversion technologies. The review provides a comprehensive overview of the current state of organic electrocatalysts and their practical applications, bridging the understanding gap and paving the way for future developments of more efficient green energy conversion technologies.