[(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide

C6H14INO — CID 156904607

IUPAC[(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide
SMILESC[N+](C)(C)[C@@H]1C[C@@H]1O.[I-]
InChIInChI=1S/C6H14NO.HI/c1-7(2,3)5-4-6(5)8;/h5-6,8H,4H2,1-3H3;1H/q+1;/p-1/t5-,6+;/m1./s1
InChIKeyWMKZTISSFTWVCC-IBTYICNHSA-M
MW243.09 g/mol
LogP-3.17
Rot. Bonds1

About [(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide

[(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide (PubChem CID 156904607) has the molecular formula C6H14INO and a molecular weight of 243.09 g/mol. Its IUPAC name is [(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide.

Molecular Properties

Compound Name[(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide
PubChem CID156904607
Molecular FormulaC6H14INO
Molecular Weight243.09 g/mol
Exact Mass243.01
IUPAC Name[(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide
SMILESC[N+](C)(C)[C@@H]1C[C@@H]1O.[I-]
InChIInChI=1S/C6H14NO.HI/c1-7(2,3)5-4-6(5)8;/h5-6,8H,4H2,1-3H3;1H/q+1;/p-1/t5-,6+;/m1./s1
InChIKeyWMKZTISSFTWVCC-IBTYICNHSA-M
XLogP-3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 5-3.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
[(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
CID 11066550
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol
CID 10855621
[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 9308
trimethyl-[(3Z,8Z)-6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium diiodide
CID 134124353
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
[(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium
CID 160919925
[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium;chloride;hydrate
CID 142409793
(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
CID 131177200
trimethyl-(2-methylcyclohexyl)azanium
CID 21409939
[(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide
CID 118719160

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide?
The IUPAC name of [(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide (CID 156904607) is [(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide.
What is the SMILES notation for [(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide?
The canonical SMILES for [(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide is C[N+](C)(C)[C@@H]1C[C@@H]1O.[I-].
What is the InChIKey of [(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide?
The InChIKey is WMKZTISSFTWVCC-IBTYICNHSA-M. The full InChI is InChI=1S/C6H14NO.HI/c1-7(2,3)5-4-6(5)8;/h5-6,8H,4H2,1-3H3;1H/q+1;/p-1/t5-,6+;/m1./s1.
What are the key properties of [(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide?
[(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide has a molecular weight of 243.09 g/mol, XLogP of -3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-hydroxycyclopropyl]-trimethylazanium iodide is sourced from PubChem (CID 156904607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).