(2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine

C₁₀H₁₉NO — CID 158548625

About (2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine

(2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine (PubChem CID 158548625) has the molecular formula C₁₀H₁₉NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine.

Molecular Properties

• Compound Name: (2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine
• PubChem CID: 158548625
• Molecular Formula: C₁₀H₁₉NO
• Molecular Weight: 169.27 g/mol
• Exact Mass: 169.15
• IUPAC Name: (2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine
• SMILES: C/C=C(/C)OC[C@H]1CCCN1C
• InChI: InChI=1S/C10H19NO/c1-4-9(2)12-8-10-6-5-7-11(10)3/h4,10H,5-8H2,1-3H3/b9-4-/t10-/m1/s1
• InChIKey: HPLBKJUZAUNBHF-ZUYFITGHSA-N
• XLogP: 2.02
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	169.27
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine?

The IUPAC name of (2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine (CID 158548625) is (2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine.

What is the SMILES notation for (2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine?

The canonical SMILES for (2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine is C/C=C(/C)OC[C@H]1CCCN1C.

What is the InChIKey of (2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine?

The InChIKey is HPLBKJUZAUNBHF-ZUYFITGHSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-9(2)12-8-10-6-5-7-11(10)3/h4,10H,5-8H2,1-3H3/b9-4-/t10-/m1/s1.

What are the key properties of (2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine?

(2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine is sourced from PubChem (CID 158548625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158548625 — identifiers, structure, computed properties (public domain)

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