methyl-(1-methylaziridin-2-ylidene)-λ3-iodane

C4H8IN — CID 163496661

IUPACmethyl-(1-methylaziridin-2-ylidene)-λ3-iodane
SMILESC/I=C1\CN1C
InChIInChI=1S/C4H8IN/c1-5-4-3-6(4)2/h3H2,1-2H3
InChIKeyCRHTVVCPGLHKMG-UHFFFAOYSA-N
MW197.02 g/mol
LogP0.66
Rot. Bonds

About methyl-(1-methylaziridin-2-ylidene)-λ3-iodane

methyl-(1-methylaziridin-2-ylidene)-λ3-iodane (PubChem CID 163496661) has the molecular formula C4H8IN and a molecular weight of 197.02 g/mol. Its IUPAC name is methyl-(1-methylaziridin-2-ylidene)-λ3-iodane.

Molecular Properties

Compound Namemethyl-(1-methylaziridin-2-ylidene)-λ3-iodane
PubChem CID163496661
Molecular FormulaC4H8IN
Molecular Weight197.02 g/mol
Exact Mass196.97
IUPAC Namemethyl-(1-methylaziridin-2-ylidene)-λ3-iodane
SMILESC/I=C1\CN1C
InChIInChI=1S/C4H8IN/c1-5-4-3-6(4)2/h3H2,1-2H3
InChIKeyCRHTVVCPGLHKMG-UHFFFAOYSA-N
XLogP0.66
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.02
LogP ≤ 50.66
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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1,3,4,6-tetramethyl-2,5-dihydroimidazo[4,5-d]imidazole
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3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione
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3-ethyl-1,6-dimethyl-2H-pyridine
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1,5-dimethyl-2H-pyrazine-3,6-dione;ethane
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3-(2-fluoroethyl)-1-methylimidazolidine-2,4-dione
CID 127013693
(1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol
CID 23467304
(2Z)-3-amino-2-hydrazinylidene-1-methylimidazolidin-4-one
CID 91290617
(2E)-3-amino-2-hydrazinylidene-1-methylimidazolidin-4-one
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3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 5001929

Frequently Asked Questions

What is the IUPAC name of methyl-(1-methylaziridin-2-ylidene)-λ3-iodane?
The IUPAC name of methyl-(1-methylaziridin-2-ylidene)-λ3-iodane (CID 163496661) is methyl-(1-methylaziridin-2-ylidene)-λ3-iodane.
What is the SMILES notation for methyl-(1-methylaziridin-2-ylidene)-λ3-iodane?
The canonical SMILES for methyl-(1-methylaziridin-2-ylidene)-λ3-iodane is C/I=C1\CN1C.
What is the InChIKey of methyl-(1-methylaziridin-2-ylidene)-λ3-iodane?
The InChIKey is CRHTVVCPGLHKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8IN/c1-5-4-3-6(4)2/h3H2,1-2H3.
What are the key properties of methyl-(1-methylaziridin-2-ylidene)-λ3-iodane?
methyl-(1-methylaziridin-2-ylidene)-λ3-iodane has a molecular weight of 197.02 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(1-methylaziridin-2-ylidene)-λ3-iodane is sourced from PubChem (CID 163496661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).