[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite

C6H12INO — CID 149141238

IUPAC[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
SMILESCN1CCC[C@H]1COI
InChIInChI=1S/C6H12INO/c1-8-4-2-3-6(8)5-9-7/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyRHUPIUPYFRMLKZ-LURJTMIESA-N
MW241.07 g/mol
LogP1.45
Rot. Bonds2

About [(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite

[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite (PubChem CID 149141238) has the molecular formula C6H12INO and a molecular weight of 241.07 g/mol. Its IUPAC name is [(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite.

Molecular Properties

Compound Name[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
PubChem CID149141238
Molecular FormulaC6H12INO
Molecular Weight241.07 g/mol
Exact Mass241.00
IUPAC Name[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
SMILESCN1CCC[C@H]1COI
InChIInChI=1S/C6H12INO/c1-8-4-2-3-6(8)5-9-7/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyRHUPIUPYFRMLKZ-LURJTMIESA-N
XLogP1.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954
[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
CID 58483914
(1-methylpyrrolidin-2-yl)methyl formate
CID 54245188
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 54091404
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine
CID 70691335
(Z)-N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine
CID 11275136
methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid
CID 89327718
[(2R)-1-methylpyrrolidin-2-yl]methanethiol
CID 90948106
difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine
CID 168880743
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite?
The IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite (CID 149141238) is [(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite.
What is the SMILES notation for [(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite?
The canonical SMILES for [(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite is CN1CCC[C@H]1COI.
What is the InChIKey of [(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite?
The InChIKey is RHUPIUPYFRMLKZ-LURJTMIESA-N. The full InChI is InChI=1S/C6H12INO/c1-8-4-2-3-6(8)5-9-7/h6H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of [(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite?
[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite has a molecular weight of 241.07 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite is sourced from PubChem (CID 149141238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).