2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol

C₁₆H₂₉NO — CID 107011017

About 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol

2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol (PubChem CID 107011017) has the molecular formula C₁₆H₂₉NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol.

Molecular Properties

• Compound Name: 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol
• PubChem CID: 107011017
• Molecular Formula: C₁₆H₂₉NO
• Molecular Weight: 251.41 g/mol
• Exact Mass: 251.22
• IUPAC Name: 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol
• SMILES: C=CCCCCCN1CCCC1C1CCCC1O
• InChI: InChI=1S/C16H29NO/c1-2-3-4-5-6-12-17-13-8-10-15(17)14-9-7-11-16(14)18/h2,14-16,18H,1,3-13H2
• InChIKey: RFJFSDWBPOXJRQ-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.41
LogP ≤ 5	3.36
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-2-yl)cyclopentan-1-ol?

The IUPAC name of 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol (CID 107011017) is 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol.

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

The canonical SMILES for 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol is C=CCCCCCN1CCCC1C1CCCC1O.

What is the InChIKey of 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol?

The InChIKey is RFJFSDWBPOXJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-3-4-5-6-12-17-13-8-10-15(17)14-9-7-11-16(14)18/h2,14-16,18H,1,3-13H2.

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

2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.36, 7 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-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 107011017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107011017 — identifiers, structure, computed properties (public domain)

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