N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide

C₁₀H₁₄N₂O₄ — CID 43140206

About N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide

N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide (PubChem CID 43140206) has the molecular formula C₁₀H₁₄N₂O₄ and a molecular weight of 226.23 g/mol. Its IUPAC name is N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide.

Molecular Properties

• Compound Name: N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
• PubChem CID: 43140206
• Molecular Formula: C₁₀H₁₄N₂O₄
• Molecular Weight: 226.23 g/mol
• Exact Mass: 226.10
• IUPAC Name: N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
• SMILES: COc1ccc(/C(N)=N/O)c(OC)c1OC
• InChI: InChI=1S/C10H14N2O4/c1-14-7-5-4-6(10(11)12-13)8(15-2)9(7)16-3/h4-5,13H,1-3H3,(H2,11,12)
• InChIKey: WDYILTKEMCYHPX-UHFFFAOYSA-N
• XLogP: 0.81
• TPSA: 86.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	226.23
LogP ≤ 5	0.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide?

The IUPAC name of N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide (CID 43140206) is N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide.

What is the SMILES notation for N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide?

The canonical SMILES for N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide is COc1ccc(/C(N)=N/O)c(OC)c1OC.

What is the InChIKey of N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide?

The InChIKey is WDYILTKEMCYHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-14-7-5-4-6(10(11)12-13)8(15-2)9(7)16-3/h4-5,13H,1-3H3,(H2,11,12).

What are the key properties of N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide?

N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide has a molecular weight of 226.23 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide is sourced from PubChem (CID 43140206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 43140206 — identifiers, structure, computed properties (public domain)

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