(2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide

C6H8INO4 — CID 158302570

IUPAC(2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide
SMILESCC(=O)OC1CC(=O)NC1=O.I
InChIInChI=1S/C6H7NO4.HI/c1-3(8)11-4-2-5(9)7-6(4)10;/h4H,2H2,1H3,(H,7,9,10);1H
InChIKeyAVORCXQDZHHRHB-UHFFFAOYSA-N
MW285.04 g/mol
LogP-0.42
Rot. Bonds1

About (2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide

(2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide (PubChem CID 158302570) has the molecular formula C6H8INO4 and a molecular weight of 285.04 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide
PubChem CID158302570
Molecular FormulaC6H8INO4
Molecular Weight285.04 g/mol
Exact Mass284.95
IUPAC Name(2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide
SMILESCC(=O)OC1CC(=O)NC1=O.I
InChIInChI=1S/C6H7NO4.HI/c1-3(8)11-4-2-5(9)7-6(4)10;/h4H,2H2,1H3,(H,7,9,10);1H
InChIKeyAVORCXQDZHHRHB-UHFFFAOYSA-N
XLogP-0.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.04
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
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

(2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate
CID 21276654
(2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride
CID 88721873
3-hydroperoxypyrrolidine-2,5-dione
CID 141263831
(2,5-dioxopyrrolidin-3-yl) pent-2-enoate
CID 139903070
4-(2,5-dioxopyrrolidin-3-yl)oxy-4-oxobutanoic acid
CID 70525741
(2,5-dioxopyrrolidin-3-yl) prop-2-enyl carbonate
CID 68668735
[(3R)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 155713089
(2,5-dioxopyrrolidin-3-yl) 2,4-diamino-4-oxobutanoate
CID 170984053
(2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate
CID 19102955
(2,5-dioxopyrrolidin-3-yl) (2S)-2-amino-3-phenylpropanoate
CID 67794422
(2,5-dioxopyrrolidin-3-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 22041739
4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate
CID 122482406

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide (CID 158302570) is (2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide is CC(=O)OC1CC(=O)NC1=O.I.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide?
The InChIKey is AVORCXQDZHHRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4.HI/c1-3(8)11-4-2-5(9)7-6(4)10;/h4H,2H2,1H3,(H,7,9,10);1H.
What are the key properties of (2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide?
(2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide has a molecular weight of 285.04 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide is sourced from PubChem (CID 158302570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).