1-(iodomethyl)-3-methylimidazolidin-2-one

C5H9IN2O — CID 142188205

IUPAC1-(iodomethyl)-3-methylimidazolidin-2-one
SMILESCN1CCN(CI)C1=O
InChIInChI=1S/C5H9IN2O/c1-7-2-3-8(4-6)5(7)9/h2-4H2,1H3
InChIKeyXDNJIUFZNFTFRV-UHFFFAOYSA-N
MW240.04 g/mol
LogP0.75
Rot. Bonds1

About 1-(iodomethyl)-3-methylimidazolidin-2-one

1-(iodomethyl)-3-methylimidazolidin-2-one (PubChem CID 142188205) has the molecular formula C5H9IN2O and a molecular weight of 240.04 g/mol. Its IUPAC name is 1-(iodomethyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(iodomethyl)-3-methylimidazolidin-2-one
PubChem CID142188205
Molecular FormulaC5H9IN2O
Molecular Weight240.04 g/mol
Exact Mass239.98
IUPAC Name1-(iodomethyl)-3-methylimidazolidin-2-one
SMILESCN1CCN(CI)C1=O
InChIInChI=1S/C5H9IN2O/c1-7-2-3-8(4-6)5(7)9/h2-4H2,1H3
InChIKeyXDNJIUFZNFTFRV-UHFFFAOYSA-N
XLogP0.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 50.75
H-Bond Donors ≤ 50
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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Related Compounds

2-(3-methyl-2-oxoimidazolidin-1-yl)acetaldehyde
CID 57135184
1-(iodomethyl)-3-methylimidazolidine-2-thione
CID 163955695
1-(3-aminopropyl)-3-methylimidazolidin-2-one
CID 59225431
1-(7-bicyclo[4.1.0]heptanylmethyl)-3-methylimidazolidin-2-one
CID 132838874
1,3-dimethylimidazolidin-2-one;hydrate
CID 68782599
1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one
CID 79361214
1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one
CID 130674408
1-methyl-3-(5-oxohexyl)imidazolidin-2-one
CID 62491497
1-methyl-3-(5-methylhexyl)imidazolidin-2-one
CID 167272324
1-iodo-3-methylimidazolidin-2-one
CID 129182782
N-methyl-N-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide
CID 123967088
1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one
CID 62490656

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(iodomethyl)-3-methylimidazolidin-2-one (CID 142188205) is 1-(iodomethyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(iodomethyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(iodomethyl)-3-methylimidazolidin-2-one is CN1CCN(CI)C1=O.
What is the InChIKey of 1-(iodomethyl)-3-methylimidazolidin-2-one?
The InChIKey is XDNJIUFZNFTFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IN2O/c1-7-2-3-8(4-6)5(7)9/h2-4H2,1H3.
What are the key properties of 1-(iodomethyl)-3-methylimidazolidin-2-one?
1-(iodomethyl)-3-methylimidazolidin-2-one has a molecular weight of 240.04 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 142188205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).