1-iodoimidazolidine-2,4-dione

C3H3IN2O2 — CID 21443575

IUPAC1-iodoimidazolidine-2,4-dione
SMILESO=C1CN(I)C(=O)N1
InChIInChI=1S/C3H3IN2O2/c4-6-1-2(7)5-3(6)8/h1H2,(H,5,7,8)
InChIKeySXKJUFKIBVAXJT-UHFFFAOYSA-N
MW225.97 g/mol
LogP-0.11
Rot. Bonds

About 1-iodoimidazolidine-2,4-dione

1-iodoimidazolidine-2,4-dione (PubChem CID 21443575) has the molecular formula C3H3IN2O2 and a molecular weight of 225.97 g/mol. Its IUPAC name is 1-iodoimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-iodoimidazolidine-2,4-dione
PubChem CID21443575
Molecular FormulaC3H3IN2O2
Molecular Weight225.97 g/mol
Exact Mass225.92
IUPAC Name1-iodoimidazolidine-2,4-dione
SMILESO=C1CN(I)C(=O)N1
InChIInChI=1S/C3H3IN2O2/c4-6-1-2(7)5-3(6)8/h1H2,(H,5,7,8)
InChIKeySXKJUFKIBVAXJT-UHFFFAOYSA-N
XLogP-0.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.97
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodoimidazolidine-2,4-dione?
The IUPAC name of 1-iodoimidazolidine-2,4-dione (CID 21443575) is 1-iodoimidazolidine-2,4-dione.
What is the SMILES notation for 1-iodoimidazolidine-2,4-dione?
The canonical SMILES for 1-iodoimidazolidine-2,4-dione is O=C1CN(I)C(=O)N1.
What is the InChIKey of 1-iodoimidazolidine-2,4-dione?
The InChIKey is SXKJUFKIBVAXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3IN2O2/c4-6-1-2(7)5-3(6)8/h1H2,(H,5,7,8).
What are the key properties of 1-iodoimidazolidine-2,4-dione?
1-iodoimidazolidine-2,4-dione has a molecular weight of 225.97 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodoimidazolidine-2,4-dione is sourced from PubChem (CID 21443575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).