Melatonin 3D structure

Melatonin (also called Melatonine, N-Acetyl-5-methoxytryptamine) has the formula C₁₃H₁₆N₂O₂ and a molar mass of 232.28 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula: C₁₃H₁₆N₂O₂
Molar mass: 232.28 g/mol
PubChem CID: 896
Heavy atoms: 17
Category: Hormones

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name	N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILES	`CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC`
PubChem CID	896
Other names	Melatonine, N-Acetyl-5-methoxytryptamine, Circadin, 5-Methoxy-N-acetyltryptamine, Melatol

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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