1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid

C5H4INO7S — CID 126610979

IUPAC1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid
SMILESO=C(I)ON1C(=O)CC(S(=O)(=O)O)C1=O
InChIInChI=1S/C5H4INO7S/c6-5(10)14-7-3(8)1-2(4(7)9)15(11,12)13/h2H,1H2,(H,11,12,13)
InChIKeyWRRRWIDCWSRDKW-UHFFFAOYSA-N
MW349.06 g/mol
LogP-0.51
Rot. Bonds2

About 1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid

1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid (PubChem CID 126610979) has the molecular formula C5H4INO7S and a molecular weight of 349.06 g/mol. Its IUPAC name is 1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid.

Molecular Properties

Compound Name1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid
PubChem CID126610979
Molecular FormulaC5H4INO7S
Molecular Weight349.06 g/mol
Exact Mass348.88
IUPAC Name1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid
SMILESO=C(I)ON1C(=O)CC(S(=O)(=O)O)C1=O
InChIInChI=1S/C5H4INO7S/c6-5(10)14-7-3(8)1-2(4(7)9)15(11,12)13/h2H,1H2,(H,11,12,13)
InChIKeyWRRRWIDCWSRDKW-UHFFFAOYSA-N
XLogP-0.51
TPSA118.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.06
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 175816716
CID 175816716
ethane;1-methoxy-2,5-dioxopyrrolidine-3-sulfonic acid
CID 143201106
CID 131848855
CID 131848855
1-[3-[2-[2-[3-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
CID 146633111
(3S)-1-[2-[2-[(3R)-2,5-dioxo-3-sulfopyrrolidin-1-yl]oxycarbonyloxyethylsulfonyl]ethoxycarbonyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
CID 98043252
1-(6-methyl-5-oxoheptanoyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid
CID 163368490
1-[4-(2,5-dioxopyrrol-1-yl)benzoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid
CID 15166703
2,5-dioxo-1-(2-propylhexanoyloxy)pyrrolidine-3-sulfonic acid
CID 126610907
1-[2-[benzyl-[2-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-2-oxoethyl]amino]acetyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid
CID 101196510
CID 131864330
CID 131864330
2,5-dioxo-1-propanoyloxypyrrolidine-3-sulfonic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-ethylamino]acetate;(2,5-dioxopyrrolidin-1-yl) propanoate
CID 90867686
1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid
CID 87184967

Frequently Asked Questions

What is the IUPAC name of 1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid?
The IUPAC name of 1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid (CID 126610979) is 1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid.
What is the SMILES notation for 1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid?
The canonical SMILES for 1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid is O=C(I)ON1C(=O)CC(S(=O)(=O)O)C1=O.
What is the InChIKey of 1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid?
The InChIKey is WRRRWIDCWSRDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4INO7S/c6-5(10)14-7-3(8)1-2(4(7)9)15(11,12)13/h2H,1H2,(H,11,12,13).
What are the key properties of 1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid?
1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid has a molecular weight of 349.06 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid is sourced from PubChem (CID 126610979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).