(2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate

C11H8INO4 — CID 15597939

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1cccc([125I])c1
InChIInChI=1S/C11H8INO4/c12-8-3-1-2-7(6-8)11(16)17-13-9(14)4-5-10(13)15/h1-3,6H,4-5H2/i12-2
InChIKeyRIOSXWBFXSDUDE-DACUFJSSSA-N
MW343.09 g/mol
LogP1.51
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate

(2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate (PubChem CID 15597939) has the molecular formula C11H8INO4 and a molecular weight of 343.09 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate
PubChem CID15597939
Molecular FormulaC11H8INO4
Molecular Weight343.09 g/mol
Exact Mass342.95
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1cccc([125I])c1
InChIInChI=1S/C11H8INO4/c12-8-3-1-2-7(6-8)11(16)17-13-9(14)4-5-10(13)15/h1-3,6H,4-5H2/i12-2
InChIKeyRIOSXWBFXSDUDE-DACUFJSSSA-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 ≤ 500343.09
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

[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine
CID 15341491
(2,5-dioxopyrrolidin-1-yl) 3-(diaminomethylideneamino)benzoate
CID 12925763
(2,5-dihydroxypyrrol-1-yl) 3-(125I)iodobenzoate
CID 90888627
(2,5-dioxopyrrolidin-1-yl) (2,3,4,5,6-13C5)pyridine-3-carboxylate
CID 71308877
(2,5-dioxopyrrolidin-1-yl) 1-oxidopyridin-1-ium-3-carboxylate
CID 50739417
(2,5-dioxopyrrolidin-1-yl) 3-(2,4-dioxo-1,3-diazinan-1-yl)benzoate
CID 175661840
(2,5-dioxopyrrolidin-1-yl) 3H-benzimidazole-5-carboxylate
CID 101239642
bis(2,5-dioxopyrrolidin-1-yl) 5-iodobenzene-1,3-dicarboxylate
CID 146663056
(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate
CID 11110628
(2,5-dioxopyrrolidin-1-yl) 4-chloro-3-methylbenzoate
CID 71364832
(2,5-dioxopyrrolidin-1-yl) dibenzofuran-2-carboxylate
CID 145370236
(2,5-dioxopyrrolidin-1-yl) 4-[(3-ethylphenyl)methyl]benzoate
CID 138460094

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate (CID 15597939) is (2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate is O=C(ON1C(=O)CCC1=O)c1cccc([125I])c1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate?
The InChIKey is RIOSXWBFXSDUDE-DACUFJSSSA-N. The full InChI is InChI=1S/C11H8INO4/c12-8-3-1-2-7(6-8)11(16)17-13-9(14)4-5-10(13)15/h1-3,6H,4-5H2/i12-2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate?
(2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate has a molecular weight of 343.09 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) 3-(125I)iodobenzoate is sourced from PubChem (CID 15597939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).