Pilocarpine

C₁₁H₁₆N₂O₂ — CID 5910

About Pilocarpine

Pilocarpine (PubChem CID 5910) has the molecular formula C₁₁H₁₆N₂O₂ and a molecular weight of 208.26 g/mol. Its IUPAC name is (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one.

Molecular Properties

• Compound Name: Pilocarpine
• PubChem CID: 5910
• Molecular Formula: C₁₁H₁₆N₂O₂
• Molecular Weight: 208.26 g/mol
• Exact Mass: 208.12
• IUPAC Name: (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
• SMILES: CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C
• InChI: InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
• InChIKey: QCHFTSOMWOSFHM-WPRPVWTQSA-N
• XLogP: 1.16
• TPSA: 44.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	208.26
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Pilocarpine?

The IUPAC name of Pilocarpine (CID 5910) is (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one.

What is the SMILES notation for Pilocarpine?

The canonical SMILES for Pilocarpine is CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.

What is the InChIKey of Pilocarpine?

The InChIKey is QCHFTSOMWOSFHM-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1.

What are the key properties of Pilocarpine?

Pilocarpine has a molecular weight of 208.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Pilocarpine is sourced from PubChem (CID 5910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5910 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2166 — approved-drug record (CC BY-SA 4.0)

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