(2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite

C7H8INO3 — CID 130455829

IUPAC(2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite
SMILESCC(C)C1=C(OI)C(=O)NC1=O
InChIInChI=1S/C7H8INO3/c1-3(2)4-5(12-8)7(11)9-6(4)10/h3H,1-2H3,(H,9,10,11)
InChIKeyXPXKAYPHJPIASO-UHFFFAOYSA-N
MW281.05 g/mol
LogP0.92
Rot. Bonds2

About (2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite

(2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite (PubChem CID 130455829) has the molecular formula C7H8INO3 and a molecular weight of 281.05 g/mol. Its IUPAC name is (2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite.

Molecular Properties

Compound Name(2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite
PubChem CID130455829
Molecular FormulaC7H8INO3
Molecular Weight281.05 g/mol
Exact Mass280.95
IUPAC Name(2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite
SMILESCC(C)C1=C(OI)C(=O)NC1=O
InChIInChI=1S/C7H8INO3/c1-3(2)4-5(12-8)7(11)9-6(4)10/h3H,1-2H3,(H,9,10,11)
InChIKeyXPXKAYPHJPIASO-UHFFFAOYSA-N
XLogP0.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.05
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Isopropyl-4-methyl-1H-pyrrole-2,5-dione
CID 45083044
5-Hydroxy-3,4-dimethyl-2,6(1H,3H)-pyridinedione
CID 129940010
3,4-Di(propan-2-yl)pyrrole-2,5-dione
CID 23529133
3-Tert-butyl-4-hydroxypyrrole-2,5-dione
CID 54697469
3-Hydroxy-4-propan-2-ylpyrrole-2,5-dione
CID 54706375
3-Ethyl-4-hydroxypyrrole-2,5-dione
CID 66831455
3-Ethyl-4-methoxypyrrole-2,5-dione
CID 89014316
3-Ethyl-4-propan-2-ylpyrrole-2,5-dione
CID 101844408

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite?
The IUPAC name of (2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite (CID 130455829) is (2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite.
What is the SMILES notation for (2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite?
The canonical SMILES for (2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite is CC(C)C1=C(OI)C(=O)NC1=O.
What is the InChIKey of (2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite?
The InChIKey is XPXKAYPHJPIASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO3/c1-3(2)4-5(12-8)7(11)9-6(4)10/h3H,1-2H3,(H,9,10,11).
What are the key properties of (2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite?
(2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite has a molecular weight of 281.05 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite is sourced from PubChem (CID 130455829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).