Chemical compound

Caffeine

1,3,7-trimethylpurine-2,6-dione

C8H10N4O2

✏️ Open in Studio ⚛️ Find isomers

SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Properties

Formula: C8H10N4O2
Molecular weight: 194.19 g/mol
PubChem CID: 2519
InChIKey: RYYVLZVUVIJVGH-UHFFFAOYSA-N
XLogP: -0.1
TPSA: 58.4 Å²
H-bond donors: 0
H-bond acceptors: 3

API access

/api/molecule?name=Caffeine

JSON · Open CORS