Kapilon

C₁₃H₁₁NO₄ — CID 5492036

About Kapilon

Kapilon (PubChem CID 5492036) has the molecular formula C₁₃H₁₁NO₄ and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[(E)-(3-methyl-4-oxonaphthalen-1-ylidene)amino]oxyacetic acid.

Molecular Properties

• Compound Name: Kapilon
• PubChem CID: 5492036
• Molecular Formula: C₁₃H₁₁NO₄
• Molecular Weight: 245.23 g/mol
• Exact Mass: 245.07
• IUPAC Name: 2-[(E)-(3-methyl-4-oxonaphthalen-1-ylidene)amino]oxyacetic acid
• SMILES: CC1=C/C(=N\OCC(=O)O)c2ccccc2C1=O
• InChI: InChI=1S/C13H11NO4/c1-8-6-11(14-18-7-12(15)16)9-4-2-3-5-10(9)13(8)17/h2-6H,7H2,1H3,(H,15,16)/b14-11+
• InChIKey: JBOOHWBSLUXBQW-SDNWHVSQSA-N
• XLogP: 1.63
• TPSA: 75.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.23
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Kapilon?

The IUPAC name of Kapilon (CID 5492036) is 2-[(E)-(3-methyl-4-oxonaphthalen-1-ylidene)amino]oxyacetic acid.

What is the SMILES notation for Kapilon?

The canonical SMILES for Kapilon is CC1=C/C(=N\OCC(=O)O)c2ccccc2C1=O.

What is the InChIKey of Kapilon?

The InChIKey is JBOOHWBSLUXBQW-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H11NO4/c1-8-6-11(14-18-7-12(15)16)9-4-2-3-5-10(9)13(8)17/h2-6H,7H2,1H3,(H,15,16)/b14-11+.

What are the key properties of Kapilon?

Kapilon has a molecular weight of 245.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Kapilon is sourced from PubChem (CID 5492036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5492036 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3337 — approved-drug record (CC BY-SA 4.0)

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