(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide

C9H19IN2O2 — CID 10615132

IUPAC(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide
SMILESCCN1CC(C[N+](C)(C)C)OC1=O.[I-]
InChIInChI=1S/C9H19N2O2.HI/c1-5-10-6-8(13-9(10)12)7-11(2,3)4;/h8H,5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyWMBMCTBKTWALGV-UHFFFAOYSA-M
MW314.17 g/mol
LogP-2.46
Rot. Bonds3

About (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide

(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide (PubChem CID 10615132) has the molecular formula C9H19IN2O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide.

Molecular Properties

Compound Name(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide
PubChem CID10615132
Molecular FormulaC9H19IN2O2
Molecular Weight314.17 g/mol
Exact Mass314.05
IUPAC Name(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide
SMILESCCN1CC(C[N+](C)(C)C)OC1=O.[I-]
InChIInChI=1S/C9H19N2O2.HI/c1-5-10-6-8(13-9(10)12)7-11(2,3)4;/h8H,5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyWMBMCTBKTWALGV-UHFFFAOYSA-M
XLogP-2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 5-2.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide?
The IUPAC name of (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide (CID 10615132) is (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide.
What is the SMILES notation for (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide?
The canonical SMILES for (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide is CCN1CC(C[N+](C)(C)C)OC1=O.[I-].
What is the InChIKey of (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide?
The InChIKey is WMBMCTBKTWALGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19N2O2.HI/c1-5-10-6-8(13-9(10)12)7-11(2,3)4;/h8H,5-7H2,1-4H3;1H/q+1;/p-1.
What are the key properties of (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide?
(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide has a molecular weight of 314.17 g/mol, XLogP of -2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide is sourced from PubChem (CID 10615132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).