methylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane

C4H8INO — CID 163523222

IUPACmethylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane
SMILESC=I[N+]1([O-])C[C@H]1C
InChIInChI=1S/C4H8INO/c1-4-3-6(4,7)5-2/h4H,2-3H2,1H3/t4-,6?/m1/s1
InChIKeyDMQFQFUXBVCNCX-NJXYFUOMSA-N
MW213.02 g/mol
LogP1.02
Rot. Bonds1

About methylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane

methylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane (PubChem CID 163523222) has the molecular formula C4H8INO and a molecular weight of 213.02 g/mol. Its IUPAC name is methylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane.

Molecular Properties

Compound Namemethylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane
PubChem CID163523222
Molecular FormulaC4H8INO
Molecular Weight213.02 g/mol
Exact Mass212.97
IUPAC Namemethylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane
SMILESC=I[N+]1([O-])C[C@H]1C
InChIInChI=1S/C4H8INO/c1-4-3-6(4,7)5-2/h4H,2-3H2,1H3/t4-,6?/m1/s1
InChIKeyDMQFQFUXBVCNCX-NJXYFUOMSA-N
XLogP1.02
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.02
LogP ≤ 51.02
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 5247030
3-methyl-2,2-dioxidothiazinan-2-ium
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CID 123678966
2,4-dimethyl-3-azoniaspiro[2.4]heptane
CID 163780636
(3S)-1,4-dimethyl-1-oxidopyrrolidin-1-ium-3-ol
CID 89166357
1-butyl-2-methyl-1-oxidopyrrolidin-1-ium
CID 166732413
(2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium
CID 122482659
(3R)-1,2-dimethyl-1-oxidopiperidin-1-ium-3,4,5-triol
CID 90895389
1,2,6-trimethyl-1-[6-(1,2,6-trimethylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium diiodide
CID 155804918
(2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium
CID 129388701
1-methyl-2-methylidenecyclobutane
CID 20800914
1,1-diethyl-2,6-dimethylpiperidin-1-ium;methyl sulfate
CID 122621694

Frequently Asked Questions

What is the IUPAC name of methylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane?
The IUPAC name of methylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane (CID 163523222) is methylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane.
What is the SMILES notation for methylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane?
The canonical SMILES for methylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane is C=I[N+]1([O-])C[C@H]1C.
What is the InChIKey of methylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane?
The InChIKey is DMQFQFUXBVCNCX-NJXYFUOMSA-N. The full InChI is InChI=1S/C4H8INO/c1-4-3-6(4,7)5-2/h4H,2-3H2,1H3/t4-,6?/m1/s1.
What are the key properties of methylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane?
methylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane has a molecular weight of 213.02 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-[(2R)-2-methyl-1-oxidoaziridin-1-ium-1-yl]-λ3-iodane is sourced from PubChem (CID 163523222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).