3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium

C6H13NO2 — CID 58319564

IUPAC3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium
SMILESCC1(C)C[N+](C)([O-])CO1
InChIInChI=1S/C6H13NO2/c1-6(2)4-7(3,8)5-9-6/h4-5H2,1-3H3
InChIKeyWIHVCMUXVDEOLR-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.70
Rot. Bonds

About 3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium

3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium (PubChem CID 58319564) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium.

Molecular Properties

Compound Name3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium
PubChem CID58319564
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium
SMILESCC1(C)C[N+](C)([O-])CO1
InChIInChI=1S/C6H13NO2/c1-6(2)4-7(3,8)5-9-6/h4-5H2,1-3H3
InChIKeyWIHVCMUXVDEOLR-UHFFFAOYSA-N
XLogP0.70
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.70
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium?
The IUPAC name of 3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium (CID 58319564) is 3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium.
What is the SMILES notation for 3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium?
The canonical SMILES for 3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium is CC1(C)C[N+](C)([O-])CO1.
What is the InChIKey of 3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium?
The InChIKey is WIHVCMUXVDEOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2)4-7(3,8)5-9-6/h4-5H2,1-3H3.
What are the key properties of 3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium?
3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium has a molecular weight of 131.18 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-3-oxido-1,3-oxazolidin-3-ium is sourced from PubChem (CID 58319564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).