Altropane

C₁₈H₂₁FINO₂ — CID 6440180

About Altropane

Altropane (PubChem CID 6440180) has the molecular formula C₁₈H₂₁FINO₂ and a molecular weight of 429.27 g/mol. Its IUPAC name is methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-[(E)-3-iodoprop-2-enyl]-8-azabicyclo[3.2.1]octane-2-carboxylate.

Molecular Properties

• Compound Name: Altropane
• PubChem CID: 6440180
• Molecular Formula: C₁₈H₂₁FINO₂
• Molecular Weight: 429.27 g/mol
• Exact Mass: 429.06
• IUPAC Name: methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-[(E)-3-iodoprop-2-enyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
• SMILES: COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I
• InChI: InChI=1S/C18H21FINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+/t14-,15+,16+,17-/m0/s1
• InChIKey: GTQLIPQFXVKRKJ-UNSMHXHVSA-N
• XLogP: 3.88
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.27
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Altropane?

The IUPAC name of Altropane (CID 6440180) is methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-[(E)-3-iodoprop-2-enyl]-8-azabicyclo[3.2.1]octane-2-carboxylate.

What is the SMILES notation for Altropane?

The canonical SMILES for Altropane is COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I.

What is the InChIKey of Altropane?

The InChIKey is GTQLIPQFXVKRKJ-UNSMHXHVSA-N. The full InChI is InChI=1S/C18H21FINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+/t14-,15+,16+,17-/m0/s1.

What are the key properties of Altropane?

Altropane has a molecular weight of 429.27 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Altropane is sourced from PubChem (CID 6440180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6440180 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3292 — approved-drug record (CC BY-SA 4.0)

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