3-iodopyrrole-2,5-dione

C4H2INO2 — CID 22571157

IUPAC3-iodopyrrole-2,5-dione
SMILESO=C1C=C(I)C(=O)N1
InChIInChI=1S/C4H2INO2/c5-2-1-3(7)6-4(2)8/h1H,(H,6,7,8)
InChIKeyQHECNPXRHFNQFD-UHFFFAOYSA-N
MW222.97 g/mol
LogP-0.04
Rot. Bonds

About 3-iodopyrrole-2,5-dione

3-iodopyrrole-2,5-dione (PubChem CID 22571157) has the molecular formula C4H2INO2 and a molecular weight of 222.97 g/mol. Its IUPAC name is 3-iodopyrrole-2,5-dione.

Molecular Properties

Compound Name3-iodopyrrole-2,5-dione
PubChem CID22571157
Molecular FormulaC4H2INO2
Molecular Weight222.97 g/mol
Exact Mass222.91
IUPAC Name3-iodopyrrole-2,5-dione
SMILESO=C1C=C(I)C(=O)N1
InChIInChI=1S/C4H2INO2/c5-2-1-3(7)6-4(2)8/h1H,(H,6,7,8)
InChIKeyQHECNPXRHFNQFD-UHFFFAOYSA-N
XLogP-0.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.97
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Maleimide
CID 10935
Fluor maleimide
CID 66915170
Maleimide-water
CID 129656466
Ioduracil
CID 129756684
(1-~2~H)-1H-Pyrrole-2,5-dione
CID 13000228
Silver pyrrole-2,5-dione
CID 20161669
CID 17939846
CID 17939846
Pyrrole-2,5-dione;hydrochloride
CID 18790454
Hydron;pyrrole-2,5-dione
CID 19973391
Ethene;pyrrole-2,5-dione
CID 20089621
Methane;pyrrole-2,5-dione
CID 21421536
Azane;pyrrole-2,5-dione
CID 22315347

Frequently Asked Questions

What is the IUPAC name of 3-iodopyrrole-2,5-dione?
The IUPAC name of 3-iodopyrrole-2,5-dione (CID 22571157) is 3-iodopyrrole-2,5-dione.
What is the SMILES notation for 3-iodopyrrole-2,5-dione?
The canonical SMILES for 3-iodopyrrole-2,5-dione is O=C1C=C(I)C(=O)N1.
What is the InChIKey of 3-iodopyrrole-2,5-dione?
The InChIKey is QHECNPXRHFNQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2INO2/c5-2-1-3(7)6-4(2)8/h1H,(H,6,7,8).
What are the key properties of 3-iodopyrrole-2,5-dione?
3-iodopyrrole-2,5-dione has a molecular weight of 222.97 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodopyrrole-2,5-dione is sourced from PubChem (CID 22571157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).