3-iodo-5-propan-2-ylimidazolidine-2,4-dione

C6H9IN2O2 — CID 153007441

IUPAC3-iodo-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1NC(=O)N(I)C1=O
InChIInChI=1S/C6H9IN2O2/c1-3(2)4-5(10)9(7)6(11)8-4/h3-4H,1-2H3,(H,8,11)
InChIKeyUZJZCRLTPNZPST-UHFFFAOYSA-N
MW268.05 g/mol
LogP0.91
Rot. Bonds1

About 3-iodo-5-propan-2-ylimidazolidine-2,4-dione

3-iodo-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 153007441) has the molecular formula C6H9IN2O2 and a molecular weight of 268.05 g/mol. Its IUPAC name is 3-iodo-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-iodo-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID153007441
Molecular FormulaC6H9IN2O2
Molecular Weight268.05 g/mol
Exact Mass267.97
IUPAC Name3-iodo-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1NC(=O)N(I)C1=O
InChIInChI=1S/C6H9IN2O2/c1-3(2)4-5(10)9(7)6(11)8-4/h3-4H,1-2H3,(H,8,11)
InChIKeyUZJZCRLTPNZPST-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.05
LogP ≤ 50.91
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 3-iodo-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-iodo-5-propan-2-ylimidazolidine-2,4-dione (CID 153007441) is 3-iodo-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-iodo-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-iodo-5-propan-2-ylimidazolidine-2,4-dione is CC(C)C1NC(=O)N(I)C1=O.
What is the InChIKey of 3-iodo-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is UZJZCRLTPNZPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2O2/c1-3(2)4-5(10)9(7)6(11)8-4/h3-4H,1-2H3,(H,8,11).
What are the key properties of 3-iodo-5-propan-2-ylimidazolidine-2,4-dione?
3-iodo-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 268.05 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 153007441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).