2-(1-hept-6-enylpyrrolidin-3-yl)ethanol

C₁₃H₂₅NO — CID 107010131

About 2-(1-hept-6-enylpyrrolidin-3-yl)ethanol

2-(1-hept-6-enylpyrrolidin-3-yl)ethanol (PubChem CID 107010131) has the molecular formula C₁₃H₂₅NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(1-hept-6-enylpyrrolidin-3-yl)ethanol.

Molecular Properties

• Compound Name: 2-(1-hept-6-enylpyrrolidin-3-yl)ethanol
• PubChem CID: 107010131
• Molecular Formula: C₁₃H₂₅NO
• Molecular Weight: 211.35 g/mol
• Exact Mass: 211.19
• IUPAC Name: 2-(1-hept-6-enylpyrrolidin-3-yl)ethanol
• SMILES: C=CCCCCCN1CCC(CCO)C1
• InChI: InChI=1S/C13H25NO/c1-2-3-4-5-6-9-14-10-7-13(12-14)8-11-15/h2,13,15H,1,3-12H2
• InChIKey: PDJFNENGJSVYQO-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	211.35
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-hept-6-enylpyrrolidin-3-yl)ethanol?

The IUPAC name of 2-(1-hept-6-enylpyrrolidin-3-yl)ethanol (CID 107010131) is 2-(1-hept-6-enylpyrrolidin-3-yl)ethanol.

What is the SMILES notation for 2-(1-hept-6-enylpyrrolidin-3-yl)ethanol?

The canonical SMILES for 2-(1-hept-6-enylpyrrolidin-3-yl)ethanol is C=CCCCCCN1CCC(CCO)C1.

What is the InChIKey of 2-(1-hept-6-enylpyrrolidin-3-yl)ethanol?

The InChIKey is PDJFNENGJSVYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-4-5-6-9-14-10-7-13(12-14)8-11-15/h2,13,15H,1,3-12H2.

What are the key properties of 2-(1-hept-6-enylpyrrolidin-3-yl)ethanol?

2-(1-hept-6-enylpyrrolidin-3-yl)ethanol has a molecular weight of 211.35 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-hept-6-enylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 107010131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107010131 — identifiers, structure, computed properties (public domain)

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