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

C6H8ClKN2O3 — CID 159228212

IUPACpotassium;5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one;cyanate
SMILESCC1(CCl)CNC(=O)O1.N#C[O-].[K+]
InChIInChI=1S/C5H8ClNO2.CHNO.K/c1-5(2-6)3-7-4(8)9-5;2-1-3;/h2-3H2,1H3,(H,7,8);3H;/q;;+1/p-1
InChIKeyKSODGQLSNUWGHJ-UHFFFAOYSA-M
MW230.69 g/mol
LogP-3.44
Rot. Bonds1

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

potassium;5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one;cyanate (PubChem CID 159228212) has the molecular formula C6H8ClKN2O3 and a molecular weight of 230.69 g/mol. Its IUPAC name is potassium;5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one;cyanate.

Molecular Properties

Compound Namepotassium;5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one;cyanate
PubChem CID159228212
Molecular FormulaC6H8ClKN2O3
Molecular Weight230.69 g/mol
Exact Mass229.99
IUPAC Namepotassium;5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one;cyanate
SMILESCC1(CCl)CNC(=O)O1.N#C[O-].[K+]
InChIInChI=1S/C5H8ClNO2.CHNO.K/c1-5(2-6)3-7-4(8)9-5;2-1-3;/h2-3H2,1H3,(H,7,8);3H;/q;;+1/p-1
InChIKeyKSODGQLSNUWGHJ-UHFFFAOYSA-M
XLogP-3.44
TPSA85.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 5-3.44
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;5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one;cyanate?
The IUPAC name of potassium;5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one;cyanate (CID 159228212) is potassium;5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one;cyanate.
What is the SMILES notation for potassium;5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one;cyanate?
The canonical SMILES for potassium;5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one;cyanate is CC1(CCl)CNC(=O)O1.N#C[O-].[K+].
What is the InChIKey of potassium;5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one;cyanate?
The InChIKey is KSODGQLSNUWGHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8ClNO2.CHNO.K/c1-5(2-6)3-7-4(8)9-5;2-1-3;/h2-3H2,1H3,(H,7,8);3H;/q;;+1/p-1.
What are the key properties of potassium;5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one;cyanate?
potassium;5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one;cyanate has a molecular weight of 230.69 g/mol, XLogP of -3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one;cyanate is sourced from PubChem (CID 159228212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).