1-iodo-3-methylimidazolidin-2-one

C4H7IN2O — CID 129182782

IUPAC1-iodo-3-methylimidazolidin-2-one
SMILESCN1CCN(I)C1=O
InChIInChI=1S/C4H7IN2O/c1-6-2-3-7(5)4(6)8/h2-3H2,1H3
InChIKeyQYMLJJASQZUTMJ-UHFFFAOYSA-N
MW226.02 g/mol
LogP0.70
Rot. Bonds

About 1-iodo-3-methylimidazolidin-2-one

1-iodo-3-methylimidazolidin-2-one (PubChem CID 129182782) has the molecular formula C4H7IN2O and a molecular weight of 226.02 g/mol. Its IUPAC name is 1-iodo-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-iodo-3-methylimidazolidin-2-one
PubChem CID129182782
Molecular FormulaC4H7IN2O
Molecular Weight226.02 g/mol
Exact Mass225.96
IUPAC Name1-iodo-3-methylimidazolidin-2-one
SMILESCN1CCN(I)C1=O
InChIInChI=1S/C4H7IN2O/c1-6-2-3-7(5)4(6)8/h2-3H2,1H3
InChIKeyQYMLJJASQZUTMJ-UHFFFAOYSA-N
XLogP0.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.02
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-iodo-3-methylimidazolidin-2-one?
The IUPAC name of 1-iodo-3-methylimidazolidin-2-one (CID 129182782) is 1-iodo-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-iodo-3-methylimidazolidin-2-one?
The canonical SMILES for 1-iodo-3-methylimidazolidin-2-one is CN1CCN(I)C1=O.
What is the InChIKey of 1-iodo-3-methylimidazolidin-2-one?
The InChIKey is QYMLJJASQZUTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IN2O/c1-6-2-3-7(5)4(6)8/h2-3H2,1H3.
What are the key properties of 1-iodo-3-methylimidazolidin-2-one?
1-iodo-3-methylimidazolidin-2-one has a molecular weight of 226.02 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-methylimidazolidin-2-one is sourced from PubChem (CID 129182782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).