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

C₉H₈N₂OS — CID 679431

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

(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 679431) has the molecular formula C₉H₈N₂OS and a molecular weight of 192.24 g/mol. Its IUPAC name is (E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

• Compound Name: (E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide
• PubChem CID: 679431
• Molecular Formula: C₉H₈N₂OS
• Molecular Weight: 192.24 g/mol
• Exact Mass: 192.04
• IUPAC Name: (E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide
• SMILES: Cc1ccc(/C=C(\C#N)C(N)=O)s1
• InChI: InChI=1S/C9H8N2OS/c1-6-2-3-8(13-6)4-7(5-10)9(11)12/h2-4H,1H3,(H2,11,12)/b7-4+
• InChIKey: VUQFYZGKBHODQK-QPJJXVBHSA-N
• XLogP: 1.45
• TPSA: 66.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.24
LogP ≤ 5	1.45
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-methylthiophen-2-yl)prop-2-enamide?

The IUPAC name of (E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 679431) is (E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide.

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

The canonical SMILES for (E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide is Cc1ccc(/C=C(\C#N)C(N)=O)s1.

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

The InChIKey is VUQFYZGKBHODQK-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-2-3-8(13-6)4-7(5-10)9(11)12/h2-4H,1H3,(H2,11,12)/b7-4+.

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

(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 192.24 g/mol, XLogP of 1.45, 2 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-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 679431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 679431 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.