Pyrrocaine

C₁₄H₂₀N₂O — CID 24361

About Pyrrocaine

Pyrrocaine (PubChem CID 24361) has the molecular formula C₁₄H₂₀N₂O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

• Compound Name: Pyrrocaine
• PubChem CID: 24361
• Molecular Formula: C₁₄H₂₀N₂O
• Molecular Weight: 232.33 g/mol
• Exact Mass: 232.16
• IUPAC Name: N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
• SMILES: Cc1cccc(C)c1NC(=O)CN1CCCC1
• InChI: InChI=1S/C14H20N2O/c1-11-6-5-7-12(2)14(11)15-13(17)10-16-8-3-4-9-16/h5-7H,3-4,8-10H2,1-2H3,(H,15,17)
• InChIKey: OYCGKECKIVYHTN-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	232.33
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Pyrrocaine?

The IUPAC name of Pyrrocaine (CID 24361) is N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide.

What is the SMILES notation for Pyrrocaine?

The canonical SMILES for Pyrrocaine is Cc1cccc(C)c1NC(=O)CN1CCCC1.

What is the InChIKey of Pyrrocaine?

The InChIKey is OYCGKECKIVYHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-6-5-7-12(2)14(11)15-13(17)10-16-8-3-4-9-16/h5-7H,3-4,8-10H2,1-2H3,(H,15,17).

What are the key properties of Pyrrocaine?

Pyrrocaine has a molecular weight of 232.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Pyrrocaine is sourced from PubChem (CID 24361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 24361 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3512 — approved-drug record (CC BY-SA 4.0)

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