Rasagiline

C₁₂H₁₃N — CID 3052776

About Rasagiline

Rasagiline (PubChem CID 3052776) has the molecular formula C₁₂H₁₃N and a molecular weight of 171.24 g/mol. Its IUPAC name is (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

• Compound Name: Rasagiline
• PubChem CID: 3052776
• Molecular Formula: C₁₂H₁₃N
• Molecular Weight: 171.24 g/mol
• Exact Mass: 171.10
• IUPAC Name: (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
• SMILES: C#CCN[C@@H]1CCc2ccccc21
• InChI: InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
• InChIKey: RUOKEQAAGRXIBM-GFCCVEGCSA-N
• XLogP: 1.90
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	171.24
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Rasagiline?

The IUPAC name of Rasagiline (CID 3052776) is (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.

What is the SMILES notation for Rasagiline?

The canonical SMILES for Rasagiline is C#CCN[C@@H]1CCc2ccccc21.

What is the InChIKey of Rasagiline?

The InChIKey is RUOKEQAAGRXIBM-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1.

What are the key properties of Rasagiline?

Rasagiline has a molecular weight of 171.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Rasagiline is sourced from PubChem (CID 3052776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3052776 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3521 — approved-drug record (CC BY-SA 4.0)

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