1-ethyl-1-(2-hydroxyethanimidoyl)urea

C₅H₁₁N₃O₂ — CID 155789915

About 1-ethyl-1-(2-hydroxyethanimidoyl)urea

1-ethyl-1-(2-hydroxyethanimidoyl)urea (PubChem CID 155789915) has the molecular formula C₅H₁₁N₃O₂ and a molecular weight of 145.16 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethanimidoyl)urea.

Molecular Properties

• Compound Name: 1-ethyl-1-(2-hydroxyethanimidoyl)urea
• PubChem CID: 155789915
• Molecular Formula: C₅H₁₁N₃O₂
• Molecular Weight: 145.16 g/mol
• Exact Mass: 145.09
• IUPAC Name: 1-ethyl-1-(2-hydroxyethanimidoyl)urea
• SMILES: [H]/N=C(\CO)N(CC)C(N)=O
• InChI: InChI=1S/C5H11N3O2/c1-2-8(5(7)10)4(6)3-9/h6,9H,2-3H2,1H3,(H2,7,10)/b6-4+
• InChIKey: ZBXMEXCOMPKYSQ-GQCTYLIASA-N
• XLogP: -0.64
• TPSA: 90.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	145.16
LogP ≤ 5	-0.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethanimidoyl)urea?

The IUPAC name of 1-ethyl-1-(2-hydroxyethanimidoyl)urea (CID 155789915) is 1-ethyl-1-(2-hydroxyethanimidoyl)urea.

What is the SMILES notation for 1-ethyl-1-(2-hydroxyethanimidoyl)urea?

The canonical SMILES for 1-ethyl-1-(2-hydroxyethanimidoyl)urea is [H]/N=C(\CO)N(CC)C(N)=O.

What is the InChIKey of 1-ethyl-1-(2-hydroxyethanimidoyl)urea?

The InChIKey is ZBXMEXCOMPKYSQ-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11N3O2/c1-2-8(5(7)10)4(6)3-9/h6,9H,2-3H2,1H3,(H2,7,10)/b6-4+.

What are the key properties of 1-ethyl-1-(2-hydroxyethanimidoyl)urea?

1-ethyl-1-(2-hydroxyethanimidoyl)urea has a molecular weight of 145.16 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-1-(2-hydroxyethanimidoyl)urea is sourced from PubChem (CID 155789915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155789915 — identifiers, structure, computed properties (public domain)

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