aziridin-2-yl(methylimino)-λ3-iodane

C3H7IN2 — CID 163738732

IUPACaziridin-2-yl(methylimino)-λ3-iodane
SMILESC/N=I/C1CN1
InChIInChI=1S/C3H7IN2/c1-5-4-3-2-6-3/h3,6H,2H2,1H3
InChIKeyLFXWUCLWOUIPJY-UHFFFAOYSA-N
MW198.01 g/mol
LogP0.70
Rot. Bonds1

About aziridin-2-yl(methylimino)-λ3-iodane

aziridin-2-yl(methylimino)-λ3-iodane (PubChem CID 163738732) has the molecular formula C3H7IN2 and a molecular weight of 198.01 g/mol. Its IUPAC name is aziridin-2-yl(methylimino)-λ3-iodane.

Molecular Properties

Compound Nameaziridin-2-yl(methylimino)-λ3-iodane
PubChem CID163738732
Molecular FormulaC3H7IN2
Molecular Weight198.01 g/mol
Exact Mass197.97
IUPAC Nameaziridin-2-yl(methylimino)-λ3-iodane
SMILESC/N=I/C1CN1
InChIInChI=1S/C3H7IN2/c1-5-4-3-2-6-3/h3,6H,2H2,1H3
InChIKeyLFXWUCLWOUIPJY-UHFFFAOYSA-N
XLogP0.70
TPSA34.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.01
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze aziridin-2-yl(methylimino)-λ3-iodane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-iodo-5-propan-2-ylpiperidin-2-amine
CID 138545489
(2S)-2-iodoaziridine
CID 89376361
(2R,5S)-N-methyl-5-propan-2-ylpiperidin-2-amine
CID 166860344
(3R)-2,3-dimethylazetidine
CID 154523082
aziridin-2-yl(dimethyl)-λ3-iodane
CID 149054738
2,5-dimethylpiperazine;methanethiol
CID 170737896
3-(chloromethyl)-2-methylazetidine
CID 178088265
4-iodo-5-methyl-1,3-diazinane
CID 155155495
(2R,3R)-3-fluoro-2-methylazetidine
CID 135396219
(2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine
CID 178147486
2,5-dimethyl-1,4-thiazinane 1-oxide
CID 66241644
5-bromo-1-methylimidazolidin-2-one
CID 123826224

Frequently Asked Questions

What is the IUPAC name of aziridin-2-yl(methylimino)-λ3-iodane?
The IUPAC name of aziridin-2-yl(methylimino)-λ3-iodane (CID 163738732) is aziridin-2-yl(methylimino)-λ3-iodane.
What is the SMILES notation for aziridin-2-yl(methylimino)-λ3-iodane?
The canonical SMILES for aziridin-2-yl(methylimino)-λ3-iodane is C/N=I/C1CN1.
What is the InChIKey of aziridin-2-yl(methylimino)-λ3-iodane?
The InChIKey is LFXWUCLWOUIPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7IN2/c1-5-4-3-2-6-3/h3,6H,2H2,1H3.
What are the key properties of aziridin-2-yl(methylimino)-λ3-iodane?
aziridin-2-yl(methylimino)-λ3-iodane has a molecular weight of 198.01 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-2-yl(methylimino)-λ3-iodane is sourced from PubChem (CID 163738732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).