3-(ethoxymethyl)pyrrolidine

C7H15NO — CID 45075569

IUPAC3-(ethoxymethyl)pyrrolidine
SMILESCCOCC1CCNC1
InChIInChI=1S/C7H15NO/c1-2-9-6-7-3-4-8-5-7/h7-8H,2-6H2,1H3
InChIKeyCLFFPDBFVAWYJG-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.63
Rot. Bonds3

About 3-(ethoxymethyl)pyrrolidine

3-(ethoxymethyl)pyrrolidine (PubChem CID 45075569) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(ethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(ethoxymethyl)pyrrolidine
PubChem CID45075569
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-(ethoxymethyl)pyrrolidine
SMILESCCOCC1CCNC1
InChIInChI=1S/C7H15NO/c1-2-9-6-7-3-4-8-5-7/h7-8H,2-6H2,1H3
InChIKeyCLFFPDBFVAWYJG-UHFFFAOYSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)pyrrolidine?
The IUPAC name of 3-(ethoxymethyl)pyrrolidine (CID 45075569) is 3-(ethoxymethyl)pyrrolidine.
What is the SMILES notation for 3-(ethoxymethyl)pyrrolidine?
The canonical SMILES for 3-(ethoxymethyl)pyrrolidine is CCOCC1CCNC1.
What is the InChIKey of 3-(ethoxymethyl)pyrrolidine?
The InChIKey is CLFFPDBFVAWYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-9-6-7-3-4-8-5-7/h7-8H,2-6H2,1H3.
What are the key properties of 3-(ethoxymethyl)pyrrolidine?
3-(ethoxymethyl)pyrrolidine has a molecular weight of 129.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)pyrrolidine is sourced from PubChem (CID 45075569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).