4-Butyl-1-hydroxyazonan-2-one

C₁₂H₂₃NO₂ — CID 154939767

About 4-Butyl-1-hydroxyazonan-2-one

4-Butyl-1-hydroxyazonan-2-one (PubChem CID 154939767) has the molecular formula C₁₂H₂₃NO₂ and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-butyl-1-hydroxyazonan-2-one.

Molecular Properties

• Compound Name: 4-Butyl-1-hydroxyazonan-2-one
• PubChem CID: 154939767
• Molecular Formula: C₁₂H₂₃NO₂
• Molecular Weight: 213.32 g/mol
• Exact Mass: 213.17
• IUPAC Name: 4-butyl-1-hydroxyazonan-2-one
• SMILES: CCCCC1CCCCCN(O)C(=O)C1
• InChI: InChI=1S/C12H23NO2/c1-2-3-7-11-8-5-4-6-9-13(15)12(14)10-11/h11,15H,2-10H2,1H3
• InChIKey: SAUPGOHJNYFDRN-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 40.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	213.32
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-Butyl-1-hydroxyazonan-2-one?

The IUPAC name of 4-Butyl-1-hydroxyazonan-2-one (CID 154939767) is 4-butyl-1-hydroxyazonan-2-one.

What is the SMILES notation for 4-Butyl-1-hydroxyazonan-2-one?

The canonical SMILES for 4-Butyl-1-hydroxyazonan-2-one is CCCCC1CCCCCN(O)C(=O)C1.

What is the InChIKey of 4-Butyl-1-hydroxyazonan-2-one?

The InChIKey is SAUPGOHJNYFDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-7-11-8-5-4-6-9-13(15)12(14)10-11/h11,15H,2-10H2,1H3.

What are the key properties of 4-Butyl-1-hydroxyazonan-2-one?

4-Butyl-1-hydroxyazonan-2-one has a molecular weight of 213.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-Butyl-1-hydroxyazonan-2-one is sourced from PubChem (CID 154939767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154939767 — identifiers, structure, computed properties (public domain)

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