(2,5-dioxopyrrolidin-1-yl) undec-2-enoate

C₁₅H₂₃NO₄ — CID 140563360

About (2,5-dioxopyrrolidin-1-yl) undec-2-enoate

(2,5-dioxopyrrolidin-1-yl) undec-2-enoate (PubChem CID 140563360) has the molecular formula C₁₅H₂₃NO₄ and a molecular weight of 281.35 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) undec-2-enoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) undec-2-enoate
• PubChem CID: 140563360
• Molecular Formula: C₁₅H₂₃NO₄
• Molecular Weight: 281.35 g/mol
• Exact Mass: 281.16
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) undec-2-enoate
• SMILES: CCCCCCCCC=CC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C15H23NO4/c1-2-3-4-5-6-7-8-9-10-15(19)20-16-13(17)11-12-14(16)18/h9-10H,2-8,11-12H2,1H3
• InChIKey: PKDJJSMLSUWUMC-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 63.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.35
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) undec-2-enoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) undec-2-enoate (CID 140563360) is (2,5-dioxopyrrolidin-1-yl) undec-2-enoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) undec-2-enoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) undec-2-enoate is CCCCCCCCC=CC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) undec-2-enoate?

The InChIKey is PKDJJSMLSUWUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-2-3-4-5-6-7-8-9-10-15(19)20-16-13(17)11-12-14(16)18/h9-10H,2-8,11-12H2,1H3.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) undec-2-enoate?

(2,5-dioxopyrrolidin-1-yl) undec-2-enoate has a molecular weight of 281.35 g/mol, XLogP of 2.90, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) undec-2-enoate is sourced from PubChem (CID 140563360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140563360 — identifiers, structure, computed properties (public domain)

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