3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide

C11H19IN2O4 — CID 3029465

IUPAC3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide
SMILESC[N+]1(CCCN2C(=O)COC2=O)CCOCC1.[I-]
InChIInChI=1S/C11H19N2O4.HI/c1-13(5-7-16-8-6-13)4-2-3-12-10(14)9-17-11(12)15;/h2-9H2,1H3;1H/q+1;/p-1
InChIKeyQJLQBLFARZGXCI-UHFFFAOYSA-M
MW370.19 g/mol
LogP-3.16
Rot. Bonds4

About 3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide

3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide (PubChem CID 3029465) has the molecular formula C11H19IN2O4 and a molecular weight of 370.19 g/mol. Its IUPAC name is 3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide.

Molecular Properties

Compound Name3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide
PubChem CID3029465
Molecular FormulaC11H19IN2O4
Molecular Weight370.19 g/mol
Exact Mass370.04
IUPAC Name3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide
SMILESC[N+]1(CCCN2C(=O)COC2=O)CCOCC1.[I-]
InChIInChI=1S/C11H19N2O4.HI/c1-13(5-7-16-8-6-13)4-2-3-12-10(14)9-17-11(12)15;/h2-9H2,1H3;1H/q+1;/p-1
InChIKeyQJLQBLFARZGXCI-UHFFFAOYSA-M
XLogP-3.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 5-3.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ammonium, (3-(2,4-dioxo-3-oxazolidinyl)propyl)trimethyl-, iodide
CID 52029
3-(2,4-Dioxo-1,3-oxazolidin-3-yl)propyl-trimethylazanium
CID 52030
3-(4-(Dibutylamino)butyl)-2,4-oxazolidinedione
CID 3029634
3-(4-(Diethylamino)butyl)-2,4-oxazolidinedione
CID 3029636
3-(3-(2,6-Dimethyl-4-morpholinyl)propyl)-2,4-oxazolidinedione
CID 3029644
5,5-Dimethyl-3-(3-(4-morpholinyl)propyl)-2,4-oxazolidinedione
CID 3029645
N,N-Diethyl-2,4-dioxo-N-methyl-3-oxazolidinepropanaminium iodide
CID 11971983
4-[4-(4-Oxo-1,3-oxazolidin-3-yl)butan-2-yl]morpholin-3-one
CID 18374161
4-[3-(4-Oxo-1,3-oxazolidin-3-yl)butyl]morpholin-3-one
CID 18374166
2-Methylpropyl 4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
CID 67361968
Tert-butyl 2-(pyrrolidine-1-carbonyl)morpholine-4-carboxylate
CID 117966470
(R)-tert-butyl 2-(pyrrolidine-1-carbonyl)morpholine-4-carboxylate
CID 117966471

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide?
The IUPAC name of 3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide (CID 3029465) is 3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide.
What is the SMILES notation for 3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide?
The canonical SMILES for 3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide is C[N+]1(CCCN2C(=O)COC2=O)CCOCC1.[I-].
What is the InChIKey of 3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide?
The InChIKey is QJLQBLFARZGXCI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H19N2O4.HI/c1-13(5-7-16-8-6-13)4-2-3-12-10(14)9-17-11(12)15;/h2-9H2,1H3;1H/q+1;/p-1.
What are the key properties of 3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide?
3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide has a molecular weight of 370.19 g/mol, XLogP of -3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-oxazolidine-2,4-dione iodide is sourced from PubChem (CID 3029465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).