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

C11H23N2O2+ — CID 20001

IUPACtrimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium
SMILESC[N+](C)(C)CCOCCN1CCCC1=O
InChIInChI=1S/C11H23N2O2/c1-13(2,3)8-10-15-9-7-12-6-4-5-11(12)14/h4-10H2,1-3H3/q+1
InChIKeyAIBMAFKPVSQVRJ-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.33
Rot. Bonds6

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

trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium (PubChem CID 20001) has the molecular formula C11H23N2O2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium
PubChem CID20001
Molecular FormulaC11H23N2O2+
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Nametrimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium
SMILESC[N+](C)(C)CCOCCN1CCCC1=O
InChIInChI=1S/C11H23N2O2/c1-13(2,3)8-10-15-9-7-12-6-4-5-11(12)14/h4-10H2,1-3H3/q+1
InChIKeyAIBMAFKPVSQVRJ-UHFFFAOYSA-N
XLogP0.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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?
The IUPAC name of trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium (CID 20001) is trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium?
The canonical SMILES for trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium is C[N+](C)(C)CCOCCN1CCCC1=O.
What is the InChIKey of trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium?
The InChIKey is AIBMAFKPVSQVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2O2/c1-13(2,3)8-10-15-9-7-12-6-4-5-11(12)14/h4-10H2,1-3H3/q+1.
What are the key properties of trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium?
trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium has a molecular weight of 215.32 g/mol, XLogP of 0.33, 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 is sourced from PubChem (CID 20001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).