trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide

C11H23IN2O2 — CID 20000

IUPACtrimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide
SMILESC[N+](C)(C)CCOCCN1CCCC1=O.[I-]
InChIInChI=1S/C11H23N2O2.HI/c1-13(2,3)8-10-15-9-7-12-6-4-5-11(12)14;/h4-10H2,1-3H3;1H/q+1;/p-1
InChIKeyQGLYADFQVQXCLP-UHFFFAOYSA-M
MW342.22 g/mol
LogP-2.66
Rot. Bonds6

About trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide

trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide (PubChem CID 20000) has the molecular formula C11H23IN2O2 and a molecular weight of 342.22 g/mol. Its IUPAC name is trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide
PubChem CID20000
Molecular FormulaC11H23IN2O2
Molecular Weight342.22 g/mol
Exact Mass342.08
IUPAC Nametrimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide
SMILESC[N+](C)(C)CCOCCN1CCCC1=O.[I-]
InChIInChI=1S/C11H23N2O2.HI/c1-13(2,3)8-10-15-9-7-12-6-4-5-11(12)14;/h4-10H2,1-3H3;1H/q+1;/p-1
InChIKeyQGLYADFQVQXCLP-UHFFFAOYSA-M
XLogP-2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 5-2.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide?
The IUPAC name of trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide (CID 20000) is trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide.
What is the SMILES notation for trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide?
The canonical SMILES for trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide is C[N+](C)(C)CCOCCN1CCCC1=O.[I-].
What is the InChIKey of trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide?
The InChIKey is QGLYADFQVQXCLP-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H23N2O2.HI/c1-13(2,3)8-10-15-9-7-12-6-4-5-11(12)14;/h4-10H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide?
trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide has a molecular weight of 342.22 g/mol, XLogP of -2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide is sourced from PubChem (CID 20000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).