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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Related Compounds

2-Oxazolidinone, 3-methyl-
CID 29831
2-Oxazolidinone, 3-ethenyl-5-methyl-
CID 543097
3-(2-Hydroxypropyl)-5-methyl-2-oxazolidinone
CID 18802
3-Ethyl-1,3-oxazolidin-2-one
CID 350825
Isopropyl 1-pyrrolidinecarboxylate
CID 79230
(5S)-5-[(dimethylamino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 58653718
3-Butyl-1,3-oxazolidin-2-one
CID 567723
5-(Aminomethyl)-3-ethyl-1,3-oxazolidin-2-one
CID 55284631
(5R)-5-[(dimethylamino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 72545094
trimethyl-[[(5R)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545096
trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545329
2-Oxazolidinone, 3-(1-ethoxyethyl)-5-methyl-
CID 14474965

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).