1-[1-(1-methoxyethoxy)ethyl]pyrrolidine

C9H19NO2 — CID 67494601

IUPAC1-[1-(1-methoxyethoxy)ethyl]pyrrolidine
SMILESCOC(C)OC(C)N1CCCC1
InChIInChI=1S/C9H19NO2/c1-8(12-9(2)11-3)10-6-4-5-7-10/h8-9H,4-7H2,1-3H3
InChIKeyMGFJXHRIFDNUTF-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.44
Rot. Bonds4

About 1-[1-(1-methoxyethoxy)ethyl]pyrrolidine

1-[1-(1-methoxyethoxy)ethyl]pyrrolidine (PubChem CID 67494601) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-[1-(1-methoxyethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(1-methoxyethoxy)ethyl]pyrrolidine
PubChem CID67494601
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-[1-(1-methoxyethoxy)ethyl]pyrrolidine
SMILESCOC(C)OC(C)N1CCCC1
InChIInChI=1S/C9H19NO2/c1-8(12-9(2)11-3)10-6-4-5-7-10/h8-9H,4-7H2,1-3H3
InChIKeyMGFJXHRIFDNUTF-UHFFFAOYSA-N
XLogP1.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.44
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-[1-(1-methoxyethoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[1-(1-methoxyethoxy)ethyl]pyrrolidine (CID 67494601) is 1-[1-(1-methoxyethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[1-(1-methoxyethoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[1-(1-methoxyethoxy)ethyl]pyrrolidine is COC(C)OC(C)N1CCCC1.
What is the InChIKey of 1-[1-(1-methoxyethoxy)ethyl]pyrrolidine?
The InChIKey is MGFJXHRIFDNUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(12-9(2)11-3)10-6-4-5-7-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-[1-(1-methoxyethoxy)ethyl]pyrrolidine?
1-[1-(1-methoxyethoxy)ethyl]pyrrolidine has a molecular weight of 173.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methoxyethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 67494601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).