3-methyl-1,3-oxazolidin-3-ium-5-one

C4H8NO2+ — CID 54519496

IUPAC3-methyl-1,3-oxazolidin-3-ium-5-one
SMILESC[NH+]1COC(=O)C1
InChIInChI=1S/C4H7NO2/c1-5-2-4(6)7-3-5/h2-3H2,1H3/p+1
InChIKeyYOTSVPJTICCRPX-UHFFFAOYSA-O
MW102.11 g/mol
LogP-1.98
Rot. Bonds

About 3-methyl-1,3-oxazolidin-3-ium-5-one

3-methyl-1,3-oxazolidin-3-ium-5-one (PubChem CID 54519496) has the molecular formula C4H8NO2+ and a molecular weight of 102.11 g/mol. Its IUPAC name is 3-methyl-1,3-oxazolidin-3-ium-5-one.

Molecular Properties

Compound Name3-methyl-1,3-oxazolidin-3-ium-5-one
PubChem CID54519496
Molecular FormulaC4H8NO2+
Molecular Weight102.11 g/mol
Exact Mass102.05
IUPAC Name3-methyl-1,3-oxazolidin-3-ium-5-one
SMILESC[NH+]1COC(=O)C1
InChIInChI=1S/C4H7NO2/c1-5-2-4(6)7-3-5/h2-3H2,1H3/p+1
InChIKeyYOTSVPJTICCRPX-UHFFFAOYSA-O
XLogP-1.98
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 5-1.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-oxazolidin-3-ium-5-one?
The IUPAC name of 3-methyl-1,3-oxazolidin-3-ium-5-one (CID 54519496) is 3-methyl-1,3-oxazolidin-3-ium-5-one.
What is the SMILES notation for 3-methyl-1,3-oxazolidin-3-ium-5-one?
The canonical SMILES for 3-methyl-1,3-oxazolidin-3-ium-5-one is C[NH+]1COC(=O)C1.
What is the InChIKey of 3-methyl-1,3-oxazolidin-3-ium-5-one?
The InChIKey is YOTSVPJTICCRPX-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7NO2/c1-5-2-4(6)7-3-5/h2-3H2,1H3/p+1.
What are the key properties of 3-methyl-1,3-oxazolidin-3-ium-5-one?
3-methyl-1,3-oxazolidin-3-ium-5-one has a molecular weight of 102.11 g/mol, XLogP of -1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-oxazolidin-3-ium-5-one is sourced from PubChem (CID 54519496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).