4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride

C7H16ClNO2 — CID 122236424

IUPAC4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
SMILESCOCC1CC(OC)CN1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-9-5-6-3-7(10-2)4-8-6;/h6-8H,3-5H2,1-2H3;1H
InChIKeyHNEUSESZADIYDX-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.43
Rot. Bonds3

About 4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride

4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride (PubChem CID 122236424) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
PubChem CID122236424
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
SMILESCOCC1CC(OC)CN1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-9-5-6-3-7(10-2)4-8-6;/h6-8H,3-5H2,1-2H3;1H
InChIKeyHNEUSESZADIYDX-UHFFFAOYSA-N
XLogP0.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride?
The IUPAC name of 4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride (CID 122236424) is 4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride is COCC1CC(OC)CN1.Cl.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride?
The InChIKey is HNEUSESZADIYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-9-5-6-3-7(10-2)4-8-6;/h6-8H,3-5H2,1-2H3;1H.
What are the key properties of 4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride?
4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 122236424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).