N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide

C₁₁H₁₇N₃O — CID 52992831

About N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide

N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide (PubChem CID 52992831) has the molecular formula C₁₁H₁₇N₃O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide.

Molecular Properties

• Compound Name: N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide
• PubChem CID: 52992831
• Molecular Formula: C₁₁H₁₇N₃O
• Molecular Weight: 207.28 g/mol
• Exact Mass: 207.14
• IUPAC Name: N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide
• SMILES: C=CCCC(=O)NCCn1ccnc1C
• InChI: InChI=1S/C11H17N3O/c1-3-4-5-11(15)13-7-9-14-8-6-12-10(14)2/h3,6,8H,1,4-5,7,9H2,2H3,(H,13,15)
• InChIKey: AJZGZKGHBHFQNJ-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	207.28
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide?

The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide (CID 52992831) is N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide.

What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide?

The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide is C=CCCC(=O)NCCn1ccnc1C.

What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide?

The InChIKey is AJZGZKGHBHFQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-4-5-11(15)13-7-9-14-8-6-12-10(14)2/h3,6,8H,1,4-5,7,9H2,2H3,(H,13,15).

What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide?

N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide has a molecular weight of 207.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methylimidazol-1-yl)ethyl]pent-4-enamide is sourced from PubChem (CID 52992831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 52992831 — identifiers, structure, computed properties (public domain)

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