Alprenolol

C₁₅H₂₃NO₂ — CID 2119

About Alprenolol

Alprenolol (PubChem CID 2119) has the molecular formula C₁₅H₂₃NO₂ and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol.

Molecular Properties

• Compound Name: Alprenolol
• PubChem CID: 2119
• Molecular Formula: C₁₅H₂₃NO₂
• Molecular Weight: 249.35 g/mol
• Exact Mass: 249.17
• IUPAC Name: 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
• SMILES: C=CCc1ccccc1OCC(O)CNC(C)C
• InChI: InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
• InChIKey: PAZJSJFMUHDSTF-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	249.35
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Alprenolol?

The IUPAC name of Alprenolol (CID 2119) is 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol.

What is the SMILES notation for Alprenolol?

The canonical SMILES for Alprenolol is C=CCc1ccccc1OCC(O)CNC(C)C.

What is the InChIKey of Alprenolol?

The InChIKey is PAZJSJFMUHDSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3.

What are the key properties of Alprenolol?

Alprenolol has a molecular weight of 249.35 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Alprenolol is sourced from PubChem (CID 2119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2119 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 137 — approved-drug record (CC BY-SA 4.0)

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