[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine

C11H8AtNO4 — CID 15341491

IUPAC[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine
SMILESO=C(ON1C(=O)CCC1=O)c1cccc([At])c1
InChIInChI=1S/C11H8AtNO4/c12-8-3-1-2-7(6-8)11(16)17-13-9(14)4-5-10(13)15/h1-3,6H,4-5H2
InChIKeyDJSMAEQVNQHSAD-UHFFFAOYSA-N
MW428.19 g/mol
LogP0.08
Rot. Bonds2

About [3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine

[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine (PubChem CID 15341491) has the molecular formula C11H8AtNO4 and a molecular weight of 428.19 g/mol. Its IUPAC name is [3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine.

Molecular Properties

Compound Name[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine
PubChem CID15341491
Molecular FormulaC11H8AtNO4
Molecular Weight428.19 g/mol
Exact Mass428.03
IUPAC Name[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine
SMILESO=C(ON1C(=O)CCC1=O)c1cccc([At])c1
InChIInChI=1S/C11H8AtNO4/c12-8-3-1-2-7(6-8)11(16)17-13-9(14)4-5-10(13)15/h1-3,6H,4-5H2
InChIKeyDJSMAEQVNQHSAD-UHFFFAOYSA-N
XLogP0.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.19
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-(125I)iodobenzoate
CID 15597939
(2,5-dioxopyrrolidin-1-yl) 3-(diaminomethylideneamino)benzoate
CID 12925763
(2,5-dioxopyrrolidin-1-yl) 3-(2,4-dioxo-1,3-diazinan-1-yl)benzoate
CID 175661840
(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) 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
CID 10687939
CID 10687939

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine?
The IUPAC name of [3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine (CID 15341491) is [3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine.
What is the SMILES notation for [3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine?
The canonical SMILES for [3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine is O=C(ON1C(=O)CCC1=O)c1cccc([At])c1.
What is the InChIKey of [3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine?
The InChIKey is DJSMAEQVNQHSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8AtNO4/c12-8-3-1-2-7(6-8)11(16)17-13-9(14)4-5-10(13)15/h1-3,6H,4-5H2.
What are the key properties of [3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine?
[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine has a molecular weight of 428.19 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine is sourced from PubChem (CID 15341491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).