potassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate

C5H6ClKN2O3 — CID 158990418

IUPACpotassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate
SMILESN#C[O-].O=C1NC[C@@H](CCl)O1.[K+]
InChIInChI=1S/C4H6ClNO2.CHNO.K/c5-1-3-2-6-4(7)8-3;2-1-3;/h3H,1-2H2,(H,6,7);3H;/q;;+1/p-1/t3-;;/m1../s1
InChIKeyJQCADJSNGFPKMY-HWYNEVGZSA-M
MW216.66 g/mol
LogP-3.83
Rot. Bonds1

About potassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate

potassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate (PubChem CID 158990418) has the molecular formula C5H6ClKN2O3 and a molecular weight of 216.66 g/mol. Its IUPAC name is potassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate.

Molecular Properties

Compound Namepotassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate
PubChem CID158990418
Molecular FormulaC5H6ClKN2O3
Molecular Weight216.66 g/mol
Exact Mass215.97
IUPAC Namepotassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate
SMILESN#C[O-].O=C1NC[C@@H](CCl)O1.[K+]
InChIInChI=1S/C4H6ClNO2.CHNO.K/c5-1-3-2-6-4(7)8-3;2-1-3;/h3H,1-2H2,(H,6,7);3H;/q;;+1/p-1/t3-;;/m1../s1
InChIKeyJQCADJSNGFPKMY-HWYNEVGZSA-M
XLogP-3.83
TPSA85.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 5-3.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate?
The IUPAC name of potassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate (CID 158990418) is potassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate.
What is the SMILES notation for potassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate?
The canonical SMILES for potassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate is N#C[O-].O=C1NC[C@@H](CCl)O1.[K+].
What is the InChIKey of potassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate?
The InChIKey is JQCADJSNGFPKMY-HWYNEVGZSA-M. The full InChI is InChI=1S/C4H6ClNO2.CHNO.K/c5-1-3-2-6-4(7)8-3;2-1-3;/h3H,1-2H2,(H,6,7);3H;/q;;+1/p-1/t3-;;/m1../s1.
What are the key properties of potassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate?
potassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate has a molecular weight of 216.66 g/mol, XLogP of -3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate is sourced from PubChem (CID 158990418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).