(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate

C11H8INO4 — CID 11110628

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc([124I])cc1
InChIInChI=1S/C11H8INO4/c12-8-3-1-7(2-4-8)11(16)17-13-9(14)5-6-10(13)15/h1-4H,5-6H2/i12-3
InChIKeyFUJICALGSOMFAM-VZEDROFBSA-N
MW342.09 g/mol
LogP1.51
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate

(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate (PubChem CID 11110628) has the molecular formula C11H8INO4 and a molecular weight of 342.09 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate
PubChem CID11110628
Molecular FormulaC11H8INO4
Molecular Weight342.09 g/mol
Exact Mass341.95
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc([124I])cc1
InChIInChI=1S/C11H8INO4/c12-8-3-1-7(2-4-8)11(16)17-13-9(14)5-6-10(13)15/h1-4H,5-6H2/i12-3
InChIKeyFUJICALGSOMFAM-VZEDROFBSA-N
XLogP1.51
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.09
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate
CID 89390468
(2,5-dioxopyrrolidin-1-yl) 4-ethylbenzoate;ethane
CID 172600342
(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate
CID 170372063
dichloro-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methylidene]ruthenium
CID 140580661
(2,5-dioxopyrrolidin-1-yl) 4-(cyanoamino)benzoate
CID 89373287
(2,5-dioxopyrrolidin-1-yl) 4-[2-(4-methylphenyl)ethynyl]benzoate
CID 129054191
bis(2,5-dioxopyrrolidin-1-yl) 5-iodobenzene-1,3-dicarboxylate
CID 146663056
(2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 12023731
(2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate
CID 10805345
(2,5-dioxopyrrolidin-1-yl) 4-chloro-3-methylbenzoate
CID 71364832
(2,5-dioxopyrrolidin-1-yl) 4-[2-(trifluoromethyl)azirin-2-yl]benzoate
CID 101365276
bis((2,5-dioxopyrrolidin-1-yl) 4-(2-carbamothioylhydrazinyl)benzoate);hydrochloride
CID 131717889

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate (CID 11110628) is (2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate is O=C(ON1C(=O)CCC1=O)c1ccc([124I])cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate?
The InChIKey is FUJICALGSOMFAM-VZEDROFBSA-N. The full InChI is InChI=1S/C11H8INO4/c12-8-3-1-7(2-4-8)11(16)17-13-9(14)5-6-10(13)15/h1-4H,5-6H2/i12-3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate?
(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate has a molecular weight of 342.09 g/mol, XLogP of 1.51, 2 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) 4-(124I)iodobenzoate is sourced from PubChem (CID 11110628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).