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

C5H12ClNO2 — CID 15357014

IUPAC2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol chloride
SMILESC[N+]1(C)CCC(O)O1.[Cl-]
InChIInChI=1S/C5H12NO2.ClH/c1-6(2)4-3-5(7)8-6;/h5,7H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyWRBQSSUSUSLAAB-UHFFFAOYSA-M
MW153.61 g/mol
LogP-3.28
Rot. Bonds

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

2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol chloride (PubChem CID 15357014) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol chloride.

Molecular Properties

Compound Name2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol chloride
PubChem CID15357014
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol chloride
SMILESC[N+]1(C)CCC(O)O1.[Cl-]
InChIInChI=1S/C5H12NO2.ClH/c1-6(2)4-3-5(7)8-6;/h5,7H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyWRBQSSUSUSLAAB-UHFFFAOYSA-M
XLogP-3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-3.28
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 chloride?
The IUPAC name of 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol chloride (CID 15357014) is 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol chloride.
What is the SMILES notation for 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol chloride?
The canonical SMILES for 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol chloride is C[N+]1(C)CCC(O)O1.[Cl-].
What is the InChIKey of 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol chloride?
The InChIKey is WRBQSSUSUSLAAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12NO2.ClH/c1-6(2)4-3-5(7)8-6;/h5,7H,3-4H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol chloride?
2,2-dimethyl-1,2-oxazolidin-2-ium-5-ol chloride has a molecular weight of 153.61 g/mol, XLogP of -3.28, 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 chloride is sourced from PubChem (CID 15357014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).