3-Cyclohex-2-en-1-yloxypyrrolidine

C₁₀H₁₇NO — CID 114620310

About 3-Cyclohex-2-en-1-yloxypyrrolidine

3-Cyclohex-2-en-1-yloxypyrrolidine (PubChem CID 114620310) has the molecular formula C₁₀H₁₇NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-yloxypyrrolidine.

Molecular Properties

• Compound Name: 3-Cyclohex-2-en-1-yloxypyrrolidine
• PubChem CID: 114620310
• Molecular Formula: C₁₀H₁₇NO
• Molecular Weight: 167.25 g/mol
• Exact Mass: 167.13
• IUPAC Name: 3-cyclohex-2-en-1-yloxypyrrolidine
• SMILES: C1=CC(OC2CCNC2)CCC1
• InChI: InChI=1S/C10H17NO/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h2,4,9-11H,1,3,5-8H2
• InChIKey: WNROTVKAWHXNMG-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	167.25
LogP ≤ 5	1.47
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 3-Cyclohex-2-en-1-yloxypyrrolidine?

The IUPAC name of 3-Cyclohex-2-en-1-yloxypyrrolidine (CID 114620310) is 3-cyclohex-2-en-1-yloxypyrrolidine.

What is the SMILES notation for 3-Cyclohex-2-en-1-yloxypyrrolidine?

The canonical SMILES for 3-Cyclohex-2-en-1-yloxypyrrolidine is C1=CC(OC2CCNC2)CCC1.

What is the InChIKey of 3-Cyclohex-2-en-1-yloxypyrrolidine?

The InChIKey is WNROTVKAWHXNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h2,4,9-11H,1,3,5-8H2.

What are the key properties of 3-Cyclohex-2-en-1-yloxypyrrolidine?

3-Cyclohex-2-en-1-yloxypyrrolidine has a molecular weight of 167.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-Cyclohex-2-en-1-yloxypyrrolidine is sourced from PubChem (CID 114620310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114620310 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.