(E)-4-cyano-2-methyl-N-propylpent-2-enamide

C₁₀H₁₆N₂O — CID 140554466

About (E)-4-cyano-2-methyl-N-propylpent-2-enamide

(E)-4-cyano-2-methyl-N-propylpent-2-enamide (PubChem CID 140554466) has the molecular formula C₁₀H₁₆N₂O and a molecular weight of 180.25 g/mol. Its IUPAC name is (E)-4-cyano-2-methyl-N-propylpent-2-enamide.

Molecular Properties

• Compound Name: (E)-4-cyano-2-methyl-N-propylpent-2-enamide
• PubChem CID: 140554466
• Molecular Formula: C₁₀H₁₆N₂O
• Molecular Weight: 180.25 g/mol
• Exact Mass: 180.13
• IUPAC Name: (E)-4-cyano-2-methyl-N-propylpent-2-enamide
• SMILES: CCCNC(=O)/C(C)=C/C(C)C#N
• InChI: InChI=1S/C10H16N2O/c1-4-5-12-10(13)9(3)6-8(2)7-11/h6,8H,4-5H2,1-3H3,(H,12,13)/b9-6+
• InChIKey: VPWAILJJIJKRNR-RMKNXTFCSA-N
• XLogP: 1.62
• TPSA: 52.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.25
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-4-cyano-2-methyl-N-propylpent-2-enamide?

The IUPAC name of (E)-4-cyano-2-methyl-N-propylpent-2-enamide (CID 140554466) is (E)-4-cyano-2-methyl-N-propylpent-2-enamide.

What is the SMILES notation for (E)-4-cyano-2-methyl-N-propylpent-2-enamide?

The canonical SMILES for (E)-4-cyano-2-methyl-N-propylpent-2-enamide is CCCNC(=O)/C(C)=C/C(C)C#N.

What is the InChIKey of (E)-4-cyano-2-methyl-N-propylpent-2-enamide?

The InChIKey is VPWAILJJIJKRNR-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-5-12-10(13)9(3)6-8(2)7-11/h6,8H,4-5H2,1-3H3,(H,12,13)/b9-6+.

What are the key properties of (E)-4-cyano-2-methyl-N-propylpent-2-enamide?

(E)-4-cyano-2-methyl-N-propylpent-2-enamide has a molecular weight of 180.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-4-cyano-2-methyl-N-propylpent-2-enamide is sourced from PubChem (CID 140554466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140554466 — identifiers, structure, computed properties (public domain)

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