1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine

C11H23NO2 — CID 83220743

IUPAC1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine
SMILESCCC1CCC(C)N1CC(OC)OC
InChIInChI=1S/C11H23NO2/c1-5-10-7-6-9(2)12(10)8-11(13-3)14-4/h9-11H,5-8H2,1-4H3
InChIKeyZECABCYEBWUAII-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.87
Rot. Bonds5

About 1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine

1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine (PubChem CID 83220743) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine
PubChem CID83220743
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine
SMILESCCC1CCC(C)N1CC(OC)OC
InChIInChI=1S/C11H23NO2/c1-5-10-7-6-9(2)12(10)8-11(13-3)14-4/h9-11H,5-8H2,1-4H3
InChIKeyZECABCYEBWUAII-UHFFFAOYSA-N
XLogP1.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine?
The IUPAC name of 1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine (CID 83220743) is 1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine is CCC1CCC(C)N1CC(OC)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine?
The InChIKey is ZECABCYEBWUAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-10-7-6-9(2)12(10)8-11(13-3)14-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine?
1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine has a molecular weight of 201.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine is sourced from PubChem (CID 83220743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).