2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide

C₁₃H₂₃NO₂ — CID 156628315

About 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide

2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide (PubChem CID 156628315) has the molecular formula C₁₃H₂₃NO₂ and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide.

Molecular Properties

• Compound Name: 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide
• PubChem CID: 156628315
• Molecular Formula: C₁₃H₂₃NO₂
• Molecular Weight: 225.33 g/mol
• Exact Mass: 225.17
• IUPAC Name: 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide
• SMILES: CCCNC(=O)CO[C@H]1CC/C=C\CCC1
• InChI: InChI=1S/C13H23NO2/c1-2-10-14-13(15)11-16-12-8-6-4-3-5-7-9-12/h3-4,12H,2,5-11H2,1H3,(H,14,15)/b4-3-/t12-/m0/s1
• InChIKey: BQIGAFUHRIOIOA-MVZIDQBPSA-N
• XLogP: 2.42
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.33
LogP ≤ 5	2.42
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 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide?

The IUPAC name of 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide (CID 156628315) is 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide.

What is the SMILES notation for 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide?

The canonical SMILES for 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide is CCCNC(=O)CO[C@H]1CC/C=C\CCC1.

What is the InChIKey of 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide?

The InChIKey is BQIGAFUHRIOIOA-MVZIDQBPSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-10-14-13(15)11-16-12-8-6-4-3-5-7-9-12/h3-4,12H,2,5-11H2,1H3,(H,14,15)/b4-3-/t12-/m0/s1.

What are the key properties of 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide?

2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide has a molecular weight of 225.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide is sourced from PubChem (CID 156628315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156628315 — identifiers, structure, computed properties (public domain)

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