5-iodo-1-methylimidazolidin-2-one

C4H7IN2O — CID 149054105

IUPAC5-iodo-1-methylimidazolidin-2-one
SMILESCN1C(=O)NCC1I
InChIInChI=1S/C4H7IN2O/c1-7-3(5)2-6-4(7)8/h3H,2H2,1H3,(H,6,8)
InChIKeyQKJSZRBBISPUMQ-UHFFFAOYSA-N
MW226.02 g/mol
LogP0.40
Rot. Bonds

About 5-iodo-1-methylimidazolidin-2-one

5-iodo-1-methylimidazolidin-2-one (PubChem CID 149054105) has the molecular formula C4H7IN2O and a molecular weight of 226.02 g/mol. Its IUPAC name is 5-iodo-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-iodo-1-methylimidazolidin-2-one
PubChem CID149054105
Molecular FormulaC4H7IN2O
Molecular Weight226.02 g/mol
Exact Mass225.96
IUPAC Name5-iodo-1-methylimidazolidin-2-one
SMILESCN1C(=O)NCC1I
InChIInChI=1S/C4H7IN2O/c1-7-3(5)2-6-4(7)8/h3H,2H2,1H3,(H,6,8)
InChIKeyQKJSZRBBISPUMQ-UHFFFAOYSA-N
XLogP0.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.02
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-methylimidazolidin-2-one?
The IUPAC name of 5-iodo-1-methylimidazolidin-2-one (CID 149054105) is 5-iodo-1-methylimidazolidin-2-one.
What is the SMILES notation for 5-iodo-1-methylimidazolidin-2-one?
The canonical SMILES for 5-iodo-1-methylimidazolidin-2-one is CN1C(=O)NCC1I.
What is the InChIKey of 5-iodo-1-methylimidazolidin-2-one?
The InChIKey is QKJSZRBBISPUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IN2O/c1-7-3(5)2-6-4(7)8/h3H,2H2,1H3,(H,6,8).
What are the key properties of 5-iodo-1-methylimidazolidin-2-one?
5-iodo-1-methylimidazolidin-2-one has a molecular weight of 226.02 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-methylimidazolidin-2-one is sourced from PubChem (CID 149054105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).