5-iodo-1,3-diazinane-2,4-dione

C4H5IN2O2 — CID 1283

IUPAC5-iodo-1,3-diazinane-2,4-dione
SMILESO=C1NCC(I)C(=O)N1
InChIInChI=1S/C4H5IN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)
InChIKeyYGKCTZPSAOUUMT-UHFFFAOYSA-N
MW240.00 g/mol
LogP-0.37
Rot. Bonds

About 5-iodo-1,3-diazinane-2,4-dione

5-iodo-1,3-diazinane-2,4-dione (PubChem CID 1283) has the molecular formula C4H5IN2O2 and a molecular weight of 240.00 g/mol. Its IUPAC name is 5-iodo-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-iodo-1,3-diazinane-2,4-dione
PubChem CID1283
Molecular FormulaC4H5IN2O2
Molecular Weight240.00 g/mol
Exact Mass239.94
IUPAC Name5-iodo-1,3-diazinane-2,4-dione
SMILESO=C1NCC(I)C(=O)N1
InChIInChI=1S/C4H5IN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)
InChIKeyYGKCTZPSAOUUMT-UHFFFAOYSA-N
XLogP-0.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.00
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1,3-diazinane-2,4-dione?
The IUPAC name of 5-iodo-1,3-diazinane-2,4-dione (CID 1283) is 5-iodo-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-iodo-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-iodo-1,3-diazinane-2,4-dione is O=C1NCC(I)C(=O)N1.
What is the InChIKey of 5-iodo-1,3-diazinane-2,4-dione?
The InChIKey is YGKCTZPSAOUUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9).
What are the key properties of 5-iodo-1,3-diazinane-2,4-dione?
5-iodo-1,3-diazinane-2,4-dione has a molecular weight of 240.00 g/mol, XLogP of -0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1,3-diazinane-2,4-dione is sourced from PubChem (CID 1283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).