2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide

C₁₁H₂₀N₂O₂ — CID 102611695

About 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide

2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide (PubChem CID 102611695) has the molecular formula C₁₁H₂₀N₂O₂ and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide.

Molecular Properties

• Compound Name: 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide
• PubChem CID: 102611695
• Molecular Formula: C₁₁H₂₀N₂O₂
• Molecular Weight: 212.29 g/mol
• Exact Mass: 212.15
• IUPAC Name: 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide
• SMILES: C=CCC(C)NC(=O)COC1(C)CNC1
• InChI: InChI=1S/C11H20N2O2/c1-4-5-9(2)13-10(14)6-15-11(3)7-12-8-11/h4,9,12H,1,5-8H2,2-3H3,(H,13,14)
• InChIKey: WFLPJVNXGTVTBD-UHFFFAOYSA-N
• XLogP: 0.45
• TPSA: 50.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	212.29
LogP ≤ 5	0.45
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 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide?

The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide (CID 102611695) is 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide.

What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide?

The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide is C=CCC(C)NC(=O)COC1(C)CNC1.

What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide?

The InChIKey is WFLPJVNXGTVTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-5-9(2)13-10(14)6-15-11(3)7-12-8-11/h4,9,12H,1,5-8H2,2-3H3,(H,13,14).

What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide?

2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide has a molecular weight of 212.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide is sourced from PubChem (CID 102611695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102611695 — identifiers, structure, computed properties (public domain)

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