(E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide

C₁₀H₁₀N₂OS — CID 679437

About (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide

(E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide (PubChem CID 679437) has the molecular formula C₁₀H₁₀N₂OS and a molecular weight of 206.27 g/mol. Its IUPAC name is (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide.

Molecular Properties

• Compound Name: (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide
• PubChem CID: 679437
• Molecular Formula: C₁₀H₁₀N₂OS
• Molecular Weight: 206.27 g/mol
• Exact Mass: 206.05
• IUPAC Name: (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide
• SMILES: CCc1ccc(/C=C(\C#N)C(N)=O)s1
• InChI: InChI=1S/C10H10N2OS/c1-2-8-3-4-9(14-8)5-7(6-11)10(12)13/h3-5H,2H2,1H3,(H2,12,13)/b7-5+
• InChIKey: ZFIVHFMVGUPGOQ-FNORWQNLSA-N
• XLogP: 1.70
• TPSA: 66.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	206.27
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide?

The IUPAC name of (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide (CID 679437) is (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide.

What is the SMILES notation for (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide?

The canonical SMILES for (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide is CCc1ccc(/C=C(\C#N)C(N)=O)s1.

What is the InChIKey of (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide?

The InChIKey is ZFIVHFMVGUPGOQ-FNORWQNLSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-2-8-3-4-9(14-8)5-7(6-11)10(12)13/h3-5H,2H2,1H3,(H2,12,13)/b7-5+.

What are the key properties of (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide?

(E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide has a molecular weight of 206.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 679437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 679437 — identifiers, structure, computed properties (public domain)

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