3-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide

C11H21IN2O3 — CID 11971983

IUPAC3-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide
SMILESCC[N+](C)(CC)CCCN1C(=O)COC1=O.[I-]
InChIInChI=1S/C11H21N2O3.HI/c1-4-13(3,5-2)8-6-7-12-10(14)9-16-11(12)15;/h4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyRCVBMTGEFHCJAX-UHFFFAOYSA-M
MW356.20 g/mol
LogP-2.15
Rot. Bonds6

About 3-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide

3-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide (PubChem CID 11971983) has the molecular formula C11H21IN2O3 and a molecular weight of 356.20 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide
PubChem CID11971983
Molecular FormulaC11H21IN2O3
Molecular Weight356.20 g/mol
Exact Mass356.06
IUPAC Name3-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide
SMILESCC[N+](C)(CC)CCCN1C(=O)COC1=O.[I-]
InChIInChI=1S/C11H21N2O3.HI/c1-4-13(3,5-2)8-6-7-12-10(14)9-16-11(12)15;/h4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyRCVBMTGEFHCJAX-UHFFFAOYSA-M
XLogP-2.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 5-2.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide?
The IUPAC name of 3-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide (CID 11971983) is 3-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide?
The canonical SMILES for 3-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide is CC[N+](C)(CC)CCCN1C(=O)COC1=O.[I-].
What is the InChIKey of 3-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide?
The InChIKey is RCVBMTGEFHCJAX-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H21N2O3.HI/c1-4-13(3,5-2)8-6-7-12-10(14)9-16-11(12)15;/h4-9H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 3-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide?
3-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide has a molecular weight of 356.20 g/mol, XLogP of -2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-oxazolidin-3-yl)propyl-diethyl-methylazanium iodide is sourced from PubChem (CID 11971983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).