2-(but-3-en-2-yloxymethyl)pyrrolidine

C₉H₁₇NO — CID 62382130

About 2-(but-3-en-2-yloxymethyl)pyrrolidine

2-(but-3-en-2-yloxymethyl)pyrrolidine (PubChem CID 62382130) has the molecular formula C₉H₁₇NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(but-3-en-2-yloxymethyl)pyrrolidine.

Molecular Properties

• Compound Name: 2-(but-3-en-2-yloxymethyl)pyrrolidine
• PubChem CID: 62382130
• Molecular Formula: C₉H₁₇NO
• Molecular Weight: 155.24 g/mol
• Exact Mass: 155.13
• IUPAC Name: 2-(but-3-en-2-yloxymethyl)pyrrolidine
• SMILES: C=CC(C)OCC1CCCN1
• InChI: InChI=1S/C9H17NO/c1-3-8(2)11-7-9-5-4-6-10-9/h3,8-10H,1,4-7H2,2H3
• InChIKey: DPCJQKZMVRZEJW-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	155.24
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-en-2-yloxymethyl)pyrrolidine?

The IUPAC name of 2-(but-3-en-2-yloxymethyl)pyrrolidine (CID 62382130) is 2-(but-3-en-2-yloxymethyl)pyrrolidine.

What is the SMILES notation for 2-(but-3-en-2-yloxymethyl)pyrrolidine?

The canonical SMILES for 2-(but-3-en-2-yloxymethyl)pyrrolidine is C=CC(C)OCC1CCCN1.

What is the InChIKey of 2-(but-3-en-2-yloxymethyl)pyrrolidine?

The InChIKey is DPCJQKZMVRZEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8(2)11-7-9-5-4-6-10-9/h3,8-10H,1,4-7H2,2H3.

What are the key properties of 2-(but-3-en-2-yloxymethyl)pyrrolidine?

2-(but-3-en-2-yloxymethyl)pyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(but-3-en-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 62382130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62382130 — identifiers, structure, computed properties (public domain)

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