4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine

C9H19NO2 — CID 170016407

IUPAC4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine
SMILESCCOC1CN(C)C(C)C1OC
InChIInChI=1S/C9H19NO2/c1-5-12-8-6-10(3)7(2)9(8)11-4/h7-9H,5-6H2,1-4H3
InChIKeyTZWFZDGVYNPIJY-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.74
Rot. Bonds3

About 4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine

4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine (PubChem CID 170016407) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine
PubChem CID170016407
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine
SMILESCCOC1CN(C)C(C)C1OC
InChIInChI=1S/C9H19NO2/c1-5-12-8-6-10(3)7(2)9(8)11-4/h7-9H,5-6H2,1-4H3
InChIKeyTZWFZDGVYNPIJY-UHFFFAOYSA-N
XLogP0.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine?
The IUPAC name of 4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine (CID 170016407) is 4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine.
What is the SMILES notation for 4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine?
The canonical SMILES for 4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine is CCOC1CN(C)C(C)C1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine?
The InChIKey is TZWFZDGVYNPIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-12-8-6-10(3)7(2)9(8)11-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine?
4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine has a molecular weight of 173.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine is sourced from PubChem (CID 170016407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).