3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one

C7H14NO2+ — CID 142948085

IUPAC3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one
SMILESCC[NH+]1C(=O)OCC1(C)C
InChIInChI=1S/C7H13NO2/c1-4-8-6(9)10-5-7(8,2)3/h4-5H2,1-3H3/p+1
InChIKeyDVSMGTYVVKVUCT-UHFFFAOYSA-O
MW144.19 g/mol
LogP-0.18
Rot. Bonds1

About 3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one

3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one (PubChem CID 142948085) has the molecular formula C7H14NO2+ and a molecular weight of 144.19 g/mol. Its IUPAC name is 3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one.

Molecular Properties

Compound Name3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one
PubChem CID142948085
Molecular FormulaC7H14NO2+
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one
SMILESCC[NH+]1C(=O)OCC1(C)C
InChIInChI=1S/C7H13NO2/c1-4-8-6(9)10-5-7(8,2)3/h4-5H2,1-3H3/p+1
InChIKeyDVSMGTYVVKVUCT-UHFFFAOYSA-O
XLogP-0.18
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one?
The IUPAC name of 3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one (CID 142948085) is 3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one.
What is the SMILES notation for 3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one?
The canonical SMILES for 3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one is CC[NH+]1C(=O)OCC1(C)C.
What is the InChIKey of 3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one?
The InChIKey is DVSMGTYVVKVUCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO2/c1-4-8-6(9)10-5-7(8,2)3/h4-5H2,1-3H3/p+1.
What are the key properties of 3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one?
3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one has a molecular weight of 144.19 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4-dimethyl-1,3-oxazolidin-3-ium-2-one is sourced from PubChem (CID 142948085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).