Hydrogen and its careers have a lot of potential in transportation industry due to lesser emissions and better performance. Performance of hydrogen enriched compressed natural gas (HCNG) fueled engine is limited by knock. The purpose of this study is to evaluate and predict knock at different operating conditions by varying (0 %–40 %) hydrogen amount in HCNG, by varying (25 %–100 %) load on engine and by varying (700 rpm–1700 rpm) speed of engine. Knock is evaluated by knock ratio, knock intensity, exhaust temperature and in-cylinder heat transfer rate. Quasi-dimensional combustion model (QDCM) MATLAB program is used to calculate in-cylinder pressure theoretically. By increasing (0 %–40 %) hydrogen in HCNG 32.7 %, 7.6 %, 33.5 %, 21.5 % & 6.4 % increment observed in, in-cylinder pressure, knock intensity, knock ratio, in-cylinder heat transfer rate and exhaust temperature respectively. By increasing (25 %–100 %) load on engine 75.8 %, 69.8 %, 88.2 %, 77.8 % & 46.7 % increment observed in, in-cylinder pressure, knock intensity, knock ratio, in-cylinder heat transfer rate & exhaust temperature respectively. By increasing speed (1100–1700) rpm of engine aforementioned parameters decreases by 12.19 %, 38.9 %, 36.06 %, 47.2 % & 14.1 % respectively. Knock intensity is predicted by particle swarm optimization-support vector machine (PSO-SVM) algorithm effectively. To minimize the prediction error, 31 combination of different (1–5) inputs applied to predict knock intensity and found combination of 5 input variable is 67.2 % & 71.9 % more accurate than 1 input variable in-terms of mean squared error and mean absolute error respectively. Findings of this study can be used to train electronic control unit of engine and in the development of HCNG fueled engine.