b24048b9d338b132…

Compound
ID: 2519380 bytesFirst seen Jun 12, 20261 collection

Fields

NameValue
cid2519
exactMass194.08037557
hBondAcceptors3
hBondDonors0
inchiKeyRYYVLZVUVIJVGH-UHFFFAOYSA-N
iupacName1,3,7-trimethylpurine-2,6-dione
molecularFormulaC8H10N4O2
molecularWeight194.19
namecaffeine
pubchemUrlhttps://pubchem.ncbi.nlm.nih.gov/compound/2519
rotatableBonds0
smilesnull
xLogP-0.1

Canonical JSON

{
  "id": "2519",
  "type": "Compound",
  "data": {
    "cid": 2519,
    "exactMass": 194.08037557,
    "hBondAcceptors": 3,
    "hBondDonors": 0,
    "inchiKey": "RYYVLZVUVIJVGH-UHFFFAOYSA-N",
    "iupacName": "1,3,7-trimethylpurine-2,6-dione",
    "molecularFormula": "C8H10N4O2",
    "molecularWeight": 194.19,
    "name": "caffeine",
    "pubchemUrl": "https://pubchem.ncbi.nlm.nih.gov/compound/2519",
    "rotatableBonds": 0,
    "smiles": null,
    "xLogP": -0.1
  }
}

Appears in 1 collection

nih/pubchem-compounds1 version · Jun 12, 2026
v1.0.0

Full hash:b24048b9d338b132223af590057e09527f1efa949d59ec933b112ad3a447523f