10-(2,5-dioxopyrrol-1-yl)dodecanoic acid

C₁₆H₂₅NO₄ — CID 151278217

About 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid

10-(2,5-dioxopyrrol-1-yl)dodecanoic acid (PubChem CID 151278217) has the molecular formula C₁₆H₂₅NO₄ and a molecular weight of 295.38 g/mol. Its IUPAC name is 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid.

Molecular Properties

• Compound Name: 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid
• PubChem CID: 151278217
• Molecular Formula: C₁₆H₂₅NO₄
• Molecular Weight: 295.38 g/mol
• Exact Mass: 295.18
• IUPAC Name: 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid
• SMILES: CCC(CCCCCCCCC(=O)O)N1C(=O)C=CC1=O
• InChI: InChI=1S/C16H25NO4/c1-2-13(17-14(18)11-12-15(17)19)9-7-5-3-4-6-8-10-16(20)21/h11-13H,2-10H2,1H3,(H,20,21)
• InChIKey: NXUQPBSIDFFESZ-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 74.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.38
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid?

The IUPAC name of 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid (CID 151278217) is 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid.

What is the SMILES notation for 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid?

The canonical SMILES for 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid is CCC(CCCCCCCCC(=O)O)N1C(=O)C=CC1=O.

What is the InChIKey of 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid?

The InChIKey is NXUQPBSIDFFESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-2-13(17-14(18)11-12-15(17)19)9-7-5-3-4-6-8-10-16(20)21/h11-13H,2-10H2,1H3,(H,20,21).

What are the key properties of 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid?

10-(2,5-dioxopyrrol-1-yl)dodecanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid is sourced from PubChem (CID 151278217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151278217 — identifiers, structure, computed properties (public domain)

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