3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one

C6H12NO2+ — CID 134892057

IUPAC3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one
SMILESCC1C[N+](C)(C)C(=O)O1
InChIInChI=1S/C6H12NO2/c1-5-4-7(2,3)6(8)9-5/h5H,4H2,1-3H3/q+1
InChIKeyFQAYTFRQWPDNPS-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.60
Rot. Bonds

About 3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one

3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one (PubChem CID 134892057) has the molecular formula C6H12NO2+ and a molecular weight of 130.17 g/mol. Its IUPAC name is 3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one.

Molecular Properties

Compound Name3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one
PubChem CID134892057
Molecular FormulaC6H12NO2+
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one
SMILESCC1C[N+](C)(C)C(=O)O1
InChIInChI=1S/C6H12NO2/c1-5-4-7(2,3)6(8)9-5/h5H,4H2,1-3H3/q+1
InChIKeyFQAYTFRQWPDNPS-UHFFFAOYSA-N
XLogP0.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.60
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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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one?
The IUPAC name of 3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one (CID 134892057) is 3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one.
What is the SMILES notation for 3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one?
The canonical SMILES for 3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one is CC1C[N+](C)(C)C(=O)O1.
What is the InChIKey of 3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one?
The InChIKey is FQAYTFRQWPDNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2/c1-5-4-7(2,3)6(8)9-5/h5H,4H2,1-3H3/q+1.
What are the key properties of 3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one?
3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one has a molecular weight of 130.17 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1,3-oxazolidin-3-ium-2-one is sourced from PubChem (CID 134892057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).