trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium

C8H17N2O2+ — CID 59355172

IUPACtrimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium
SMILESCC1(C[N+](C)(C)C)COC(=O)N1
InChIInChI=1S/C8H16N2O2/c1-8(5-10(2,3)4)6-12-7(11)9-8/h5-6H2,1-4H3/p+1
InChIKeyDEVZILJNGFYKCC-UHFFFAOYSA-O
MW173.24 g/mol
LogP0.19
Rot. Bonds2

About trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium

trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium (PubChem CID 59355172) has the molecular formula C8H17N2O2+ and a molecular weight of 173.24 g/mol. Its IUPAC name is trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium
PubChem CID59355172
Molecular FormulaC8H17N2O2+
Molecular Weight173.24 g/mol
Exact Mass173.13
IUPAC Nametrimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium
SMILESCC1(C[N+](C)(C)C)COC(=O)N1
InChIInChI=1S/C8H16N2O2/c1-8(5-10(2,3)4)6-12-7(11)9-8/h5-6H2,1-4H3/p+1
InChIKeyDEVZILJNGFYKCC-UHFFFAOYSA-O
XLogP0.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.19
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 trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium?
The IUPAC name of trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium (CID 59355172) is trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium.
What is the SMILES notation for trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium?
The canonical SMILES for trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium is CC1(C[N+](C)(C)C)COC(=O)N1.
What is the InChIKey of trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium?
The InChIKey is DEVZILJNGFYKCC-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N2O2/c1-8(5-10(2,3)4)6-12-7(11)9-8/h5-6H2,1-4H3/p+1.
What are the key properties of trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium?
trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium has a molecular weight of 173.24 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium is sourced from PubChem (CID 59355172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).