Ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate

C₉H₁₁NO₅ — CID 71342407

About Ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate

Ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate (PubChem CID 71342407) has the molecular formula C₉H₁₁NO₅ and a molecular weight of 213.19 g/mol. Its IUPAC name is ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate.

Molecular Properties

• Compound Name: Ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate
• PubChem CID: 71342407
• Molecular Formula: C₉H₁₁NO₅
• Molecular Weight: 213.19 g/mol
• Exact Mass: 213.06
• IUPAC Name: ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate
• SMILES: CCOC(=O)C=CC(=O)N1CCOC1=O
• InChI: InChI=1S/C9H11NO5/c1-2-14-8(12)4-3-7(11)10-5-6-15-9(10)13/h3-4H,2,5-6H2,1H3
• InChIKey: PURCUCVFIFIHMP-UHFFFAOYSA-N
• XLogP: 0.08
• TPSA: 72.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	213.19
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?

The IUPAC name of Ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate (CID 71342407) is ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate.

What is the SMILES notation for Ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?

The canonical SMILES for Ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate is CCOC(=O)C=CC(=O)N1CCOC1=O.

What is the InChIKey of Ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?

The InChIKey is PURCUCVFIFIHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-2-14-8(12)4-3-7(11)10-5-6-15-9(10)13/h3-4H,2,5-6H2,1H3.

What are the key properties of Ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?

Ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate has a molecular weight of 213.19 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate is sourced from PubChem (CID 71342407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71342407 — identifiers, structure, computed properties (public domain)

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