2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol

C5H12NO2+ — CID 15357015

IUPAC2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol
SMILESC[N+]1(C)CCC(O)O1
InChIInChI=1S/C5H12NO2/c1-6(2)4-3-5(7)8-6/h5,7H,3-4H2,1-2H3/q+1
InChIKeyCEHCODBXFUMLDJ-UHFFFAOYSA-N
MW118.16 g/mol
LogP-0.28
Rot. Bonds

About 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol

2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol (PubChem CID 15357015) has the molecular formula C5H12NO2+ and a molecular weight of 118.16 g/mol. Its IUPAC name is 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol.

Molecular Properties

Compound Name2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol
PubChem CID15357015
Molecular FormulaC5H12NO2+
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol
SMILESC[N+]1(C)CCC(O)O1
InChIInChI=1S/C5H12NO2/c1-6(2)4-3-5(7)8-6/h5,7H,3-4H2,1-2H3/q+1
InChIKeyCEHCODBXFUMLDJ-UHFFFAOYSA-N
XLogP-0.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
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 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol?
The IUPAC name of 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol (CID 15357015) is 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol.
What is the SMILES notation for 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol?
The canonical SMILES for 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol is C[N+]1(C)CCC(O)O1.
What is the InChIKey of 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol?
The InChIKey is CEHCODBXFUMLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO2/c1-6(2)4-3-5(7)8-6/h5,7H,3-4H2,1-2H3/q+1.
What are the key properties of 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol?
2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol has a molecular weight of 118.16 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol is sourced from PubChem (CID 15357015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).