(Z)-2-cyano-3-thiophen-2-ylprop-2-enamide

C₈H₆N₂OS — CID 730849

About (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide

(Z)-2-cyano-3-thiophen-2-ylprop-2-enamide (PubChem CID 730849) has the molecular formula C₈H₆N₂OS and a molecular weight of 178.22 g/mol. Its IUPAC name is (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

• Compound Name: (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide
• PubChem CID: 730849
• Molecular Formula: C₈H₆N₂OS
• Molecular Weight: 178.22 g/mol
• Exact Mass: 178.02
• IUPAC Name: (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide
• SMILES: N#C/C(=C/c1cccs1)C(N)=O
• InChI: InChI=1S/C8H6N2OS/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)/b6-4-
• InChIKey: BTCIBXVDLXOYIT-XQRVVYSFSA-N
• XLogP: 1.14
• TPSA: 66.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	178.22
LogP ≤ 5	1.14
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 (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide?

The IUPAC name of (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide (CID 730849) is (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide.

What is the SMILES notation for (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide?

The canonical SMILES for (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide is N#C/C(=C/c1cccs1)C(N)=O.

What is the InChIKey of (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide?

The InChIKey is BTCIBXVDLXOYIT-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H6N2OS/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)/b6-4-.

What are the key properties of (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide?

(Z)-2-cyano-3-thiophen-2-ylprop-2-enamide has a molecular weight of 178.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-cyano-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 730849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 730849 — identifiers, structure, computed properties (public domain)

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