1-(4-iodophenyl)-1,3-diazinane-2,4-dione

C10H9IN2O2 — CID 73172247

IUPAC1-(4-iodophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(I)cc2)C(=O)N1
InChIInChI=1S/C10H9IN2O2/c11-7-1-3-8(4-2-7)13-6-5-9(14)12-10(13)15/h1-4H,5-6H2,(H,12,14,15)
InChIKeyNMXLSPXXUCMDPZ-UHFFFAOYSA-N
MW316.10 g/mol
LogP1.74
Rot. Bonds1

About 1-(4-iodophenyl)-1,3-diazinane-2,4-dione

1-(4-iodophenyl)-1,3-diazinane-2,4-dione (PubChem CID 73172247) has the molecular formula C10H9IN2O2 and a molecular weight of 316.10 g/mol. Its IUPAC name is 1-(4-iodophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(4-iodophenyl)-1,3-diazinane-2,4-dione
PubChem CID73172247
Molecular FormulaC10H9IN2O2
Molecular Weight316.10 g/mol
Exact Mass315.97
IUPAC Name1-(4-iodophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(I)cc2)C(=O)N1
InChIInChI=1S/C10H9IN2O2/c11-7-1-3-8(4-2-7)13-6-5-9(14)12-10(13)15/h1-4H,5-6H2,(H,12,14,15)
InChIKeyNMXLSPXXUCMDPZ-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(4-iodophenyl)-1,3-diazinane-2,4-dione (CID 73172247) is 1-(4-iodophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(4-iodophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(4-iodophenyl)-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc(I)cc2)C(=O)N1.
What is the InChIKey of 1-(4-iodophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is NMXLSPXXUCMDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O2/c11-7-1-3-8(4-2-7)13-6-5-9(14)12-10(13)15/h1-4H,5-6H2,(H,12,14,15).
What are the key properties of 1-(4-iodophenyl)-1,3-diazinane-2,4-dione?
1-(4-iodophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 316.10 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 73172247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).