3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one

C6H10NO2+ — CID 23198189

IUPAC3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one
SMILESC=C[N+]1(C)CCOC1=O
InChIInChI=1S/C6H10NO2/c1-3-7(2)4-5-9-6(7)8/h3H,1,4-5H2,2H3/q+1
InChIKeyZIVSLWOYDHFRCR-UHFFFAOYSA-N
MW128.15 g/mol
LogP0.73
Rot. Bonds1

About 3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one

3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one (PubChem CID 23198189) has the molecular formula C6H10NO2+ and a molecular weight of 128.15 g/mol. Its IUPAC name is 3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one.

Molecular Properties

Compound Name3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one
PubChem CID23198189
Molecular FormulaC6H10NO2+
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one
SMILESC=C[N+]1(C)CCOC1=O
InChIInChI=1S/C6H10NO2/c1-3-7(2)4-5-9-6(7)8/h3H,1,4-5H2,2H3/q+1
InChIKeyZIVSLWOYDHFRCR-UHFFFAOYSA-N
XLogP0.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one?
The IUPAC name of 3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one (CID 23198189) is 3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one.
What is the SMILES notation for 3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one?
The canonical SMILES for 3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one is C=C[N+]1(C)CCOC1=O.
What is the InChIKey of 3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one?
The InChIKey is ZIVSLWOYDHFRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO2/c1-3-7(2)4-5-9-6(7)8/h3H,1,4-5H2,2H3/q+1.
What are the key properties of 3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one?
3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one has a molecular weight of 128.15 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-methyl-1,3-oxazolidin-3-ium-2-one is sourced from PubChem (CID 23198189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).