1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium

C11H24NO2+ — CID 68588824

IUPAC1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium
SMILESCC[N+]1(C(C)OC(C)OC)CCCC1
InChIInChI=1S/C11H24NO2/c1-5-12(8-6-7-9-12)10(2)14-11(3)13-4/h10-11H,5-9H2,1-4H3/q+1
InChIKeyOUSWIQZWIQYCGF-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.97
Rot. Bonds5

About 1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium

1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium (PubChem CID 68588824) has the molecular formula C11H24NO2+ and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium.

Molecular Properties

Compound Name1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium
PubChem CID68588824
Molecular FormulaC11H24NO2+
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium
SMILESCC[N+]1(C(C)OC(C)OC)CCCC1
InChIInChI=1S/C11H24NO2/c1-5-12(8-6-7-9-12)10(2)14-11(3)13-4/h10-11H,5-9H2,1-4H3/q+1
InChIKeyOUSWIQZWIQYCGF-UHFFFAOYSA-N
XLogP1.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium?
The IUPAC name of 1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium (CID 68588824) is 1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium.
What is the SMILES notation for 1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium?
The canonical SMILES for 1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium is CC[N+]1(C(C)OC(C)OC)CCCC1.
What is the InChIKey of 1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium?
The InChIKey is OUSWIQZWIQYCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO2/c1-5-12(8-6-7-9-12)10(2)14-11(3)13-4/h10-11H,5-9H2,1-4H3/q+1.
What are the key properties of 1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium?
1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium has a molecular weight of 202.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium is sourced from PubChem (CID 68588824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).