3-(2-methoxyethoxy)-1-methylpyrrolidine

C8H17NO2 — CID 18723111

IUPAC3-(2-methoxyethoxy)-1-methylpyrrolidine
SMILESCOCCOC1CCN(C)C1
InChIInChI=1S/C8H17NO2/c1-9-4-3-8(7-9)11-6-5-10-2/h8H,3-7H2,1-2H3
InChIKeyXVXJKNFUOWCKTN-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.35
Rot. Bonds4

About 3-(2-methoxyethoxy)-1-methylpyrrolidine

3-(2-methoxyethoxy)-1-methylpyrrolidine (PubChem CID 18723111) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-methylpyrrolidine
PubChem CID18723111
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(2-methoxyethoxy)-1-methylpyrrolidine
SMILESCOCCOC1CCN(C)C1
InChIInChI=1S/C8H17NO2/c1-9-4-3-8(7-9)11-6-5-10-2/h8H,3-7H2,1-2H3
InChIKeyXVXJKNFUOWCKTN-UHFFFAOYSA-N
XLogP0.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-1-methylpyrrolidine?
The IUPAC name of 3-(2-methoxyethoxy)-1-methylpyrrolidine (CID 18723111) is 3-(2-methoxyethoxy)-1-methylpyrrolidine.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-methylpyrrolidine?
The canonical SMILES for 3-(2-methoxyethoxy)-1-methylpyrrolidine is COCCOC1CCN(C)C1.
What is the InChIKey of 3-(2-methoxyethoxy)-1-methylpyrrolidine?
The InChIKey is XVXJKNFUOWCKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-9-4-3-8(7-9)11-6-5-10-2/h8H,3-7H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-1-methylpyrrolidine?
3-(2-methoxyethoxy)-1-methylpyrrolidine has a molecular weight of 159.23 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-methylpyrrolidine is sourced from PubChem (CID 18723111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).