(E)-N,2-dimethylbut-2-enamide

C₆H₁₁NO — CID 12587298

About (E)-N,2-dimethylbut-2-enamide

(E)-N,2-dimethylbut-2-enamide (PubChem CID 12587298) has the molecular formula C₆H₁₁NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-N,2-dimethylbut-2-enamide.

Molecular Properties

• Compound Name: (E)-N,2-dimethylbut-2-enamide
• PubChem CID: 12587298
• Molecular Formula: C₆H₁₁NO
• Molecular Weight: 113.16 g/mol
• Exact Mass: 113.08
• IUPAC Name: (E)-N,2-dimethylbut-2-enamide
• SMILES: C/C=C(\C)C(=O)NC
• InChI: InChI=1S/C6H11NO/c1-4-5(2)6(8)7-3/h4H,1-3H3,(H,7,8)/b5-4+
• InChIKey: MREZLUJXFNFQIH-SNAWJCMRSA-N
• XLogP: 0.70
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	113.16
LogP ≤ 5	0.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethylbut-2-enamide?

The IUPAC name of (E)-N,2-dimethylbut-2-enamide (CID 12587298) is (E)-N,2-dimethylbut-2-enamide.

What is the SMILES notation for (E)-N,2-dimethylbut-2-enamide?

The canonical SMILES for (E)-N,2-dimethylbut-2-enamide is C/C=C(\C)C(=O)NC.

What is the InChIKey of (E)-N,2-dimethylbut-2-enamide?

The InChIKey is MREZLUJXFNFQIH-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-5(2)6(8)7-3/h4H,1-3H3,(H,7,8)/b5-4+.

What are the key properties of (E)-N,2-dimethylbut-2-enamide?

(E)-N,2-dimethylbut-2-enamide has a molecular weight of 113.16 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N,2-dimethylbut-2-enamide is sourced from PubChem (CID 12587298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 12587298 — identifiers, structure, computed properties (public domain)

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