4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide

C12H23IN2O3 — CID 11971969

IUPAC4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide
SMILESCC1(C)OC(=O)N(CCCC[N+](C)(C)C)C1=O.[I-]
InChIInChI=1S/C12H23N2O3.HI/c1-12(2)10(15)13(11(16)17-12)8-6-7-9-14(3,4)5;/h6-9H2,1-5H3;1H/q+1;/p-1
InChIKeyVPIPJUDPTYCYPV-UHFFFAOYSA-M
MW370.23 g/mol
LogP-1.77
Rot. Bonds5

About 4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide

4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide (PubChem CID 11971969) has the molecular formula C12H23IN2O3 and a molecular weight of 370.23 g/mol. Its IUPAC name is 4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide.

Molecular Properties

Compound Name4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide
PubChem CID11971969
Molecular FormulaC12H23IN2O3
Molecular Weight370.23 g/mol
Exact Mass370.08
IUPAC Name4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide
SMILESCC1(C)OC(=O)N(CCCC[N+](C)(C)C)C1=O.[I-]
InChIInChI=1S/C12H23N2O3.HI/c1-12(2)10(15)13(11(16)17-12)8-6-7-9-14(3,4)5;/h6-9H2,1-5H3;1H/q+1;/p-1
InChIKeyVPIPJUDPTYCYPV-UHFFFAOYSA-M
XLogP-1.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 5-1.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide?
The IUPAC name of 4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide (CID 11971969) is 4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide.
What is the SMILES notation for 4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide?
The canonical SMILES for 4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide is CC1(C)OC(=O)N(CCCC[N+](C)(C)C)C1=O.[I-].
What is the InChIKey of 4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide?
The InChIKey is VPIPJUDPTYCYPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H23N2O3.HI/c1-12(2)10(15)13(11(16)17-12)8-6-7-9-14(3,4)5;/h6-9H2,1-5H3;1H/q+1;/p-1.
What are the key properties of 4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide?
4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide has a molecular weight of 370.23 g/mol, XLogP of -1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butyl-trimethylazanium iodide is sourced from PubChem (CID 11971969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).