2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide

C₁₁H₁₃N₃O₄ — CID 64616370

About 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide

2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide (PubChem CID 64616370) has the molecular formula C₁₁H₁₃N₃O₄ and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide.

Molecular Properties

• Compound Name: 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide
• PubChem CID: 64616370
• Molecular Formula: C₁₁H₁₃N₃O₄
• Molecular Weight: 251.24 g/mol
• Exact Mass: 251.09
• IUPAC Name: 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide
• SMILES: O=C(CC1CNC1)Nc1ccc(O)cc1[N+](=O)[O-]
• InChI: InChI=1S/C11H13N3O4/c15-8-1-2-9(10(4-8)14(17)18)13-11(16)3-7-5-12-6-7/h1-2,4,7,12,15H,3,5-6H2,(H,13,16)
• InChIKey: BVQMSVGDGBSYEP-UHFFFAOYSA-N
• XLogP: 0.85
• TPSA: 104.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.24
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide?

The IUPAC name of 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide (CID 64616370) is 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide.

What is the SMILES notation for 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide?

The canonical SMILES for 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide is O=C(CC1CNC1)Nc1ccc(O)cc1[N+](=O)[O-].

What is the InChIKey of 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide?

The InChIKey is BVQMSVGDGBSYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-8-1-2-9(10(4-8)14(17)18)13-11(16)3-7-5-12-6-7/h1-2,4,7,12,15H,3,5-6H2,(H,13,16).

What are the key properties of 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide?

2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide has a molecular weight of 251.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 64616370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 64616370 — identifiers, structure, computed properties (public domain)

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