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

C8H17ClN2O2 — CID 68561944

IUPACtrimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride
SMILESCC1(C[N+](C)(C)C)COC(=O)N1.[Cl-]
InChIInChI=1S/C8H16N2O2.ClH/c1-8(5-10(2,3)4)6-12-7(11)9-8;/h5-6H2,1-4H3;1H
InChIKeyDIMQHRMHYLUKEJ-UHFFFAOYSA-N
MW208.69 g/mol
LogP-2.80
Rot. Bonds2

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

trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride (PubChem CID 68561944) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride
PubChem CID68561944
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC Nametrimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride
SMILESCC1(C[N+](C)(C)C)COC(=O)N1.[Cl-]
InChIInChI=1S/C8H16N2O2.ClH/c1-8(5-10(2,3)4)6-12-7(11)9-8;/h5-6H2,1-4H3;1H
InChIKeyDIMQHRMHYLUKEJ-UHFFFAOYSA-N
XLogP-2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 5-2.80
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 chloride?
The IUPAC name of trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride (CID 68561944) is trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride.
What is the SMILES notation for trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride?
The canonical SMILES for trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride is CC1(C[N+](C)(C)C)COC(=O)N1.[Cl-].
What is the InChIKey of trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride?
The InChIKey is DIMQHRMHYLUKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.ClH/c1-8(5-10(2,3)4)6-12-7(11)9-8;/h5-6H2,1-4H3;1H.
What are the key properties of trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride?
trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride has a molecular weight of 208.69 g/mol, XLogP of -2.80, 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 chloride is sourced from PubChem (CID 68561944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).