Aceclidine

C₉H₁₅NO₂ — CID 1979

About Aceclidine

Aceclidine (PubChem CID 1979) has the molecular formula C₉H₁₅NO₂ and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-yl acetate.

Molecular Properties

• Compound Name: Aceclidine
• PubChem CID: 1979
• Molecular Formula: C₉H₁₅NO₂
• Molecular Weight: 169.22 g/mol
• Exact Mass: 169.11
• IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl acetate
• SMILES: CC(=O)OC1CN2CCC1CC2
• InChI: InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3
• InChIKey: WRJPSSPFHGNBMG-UHFFFAOYSA-N
• XLogP: 0.64
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	169.22
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Aceclidine?

The IUPAC name of Aceclidine (CID 1979) is 1-azabicyclo[2.2.2]octan-3-yl acetate.

What is the SMILES notation for Aceclidine?

The canonical SMILES for Aceclidine is CC(=O)OC1CN2CCC1CC2.

What is the InChIKey of Aceclidine?

The InChIKey is WRJPSSPFHGNBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3.

What are the key properties of Aceclidine?

Aceclidine has a molecular weight of 169.22 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Aceclidine is sourced from PubChem (CID 1979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 1979 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4314 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.