3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine

C13H28N2O2 — CID 143486039

IUPAC3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine
SMILESCCOC1CNCC1CC.COC1CCNC1
InChIInChI=1S/C8H17NO.C5H11NO/c1-3-7-5-9-6-8(7)10-4-2;1-7-5-2-3-6-4-5/h7-9H,3-6H2,1-2H3;5-6H,2-4H2,1H3
InChIKeyDTLBBZOAZHFDSZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.02
Rot. Bonds4

About 3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine

3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine (PubChem CID 143486039) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine.

Molecular Properties

Compound Name3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine
PubChem CID143486039
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine
SMILESCCOC1CNCC1CC.COC1CCNC1
InChIInChI=1S/C8H17NO.C5H11NO/c1-3-7-5-9-6-8(7)10-4-2;1-7-5-2-3-6-4-5/h7-9H,3-6H2,1-2H3;5-6H,2-4H2,1H3
InChIKeyDTLBBZOAZHFDSZ-UHFFFAOYSA-N
XLogP1.02
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine?
The IUPAC name of 3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine (CID 143486039) is 3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine.
What is the SMILES notation for 3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine?
The canonical SMILES for 3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine is CCOC1CNCC1CC.COC1CCNC1.
What is the InChIKey of 3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine?
The InChIKey is DTLBBZOAZHFDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C5H11NO/c1-3-7-5-9-6-8(7)10-4-2;1-7-5-2-3-6-4-5/h7-9H,3-6H2,1-2H3;5-6H,2-4H2,1H3.
What are the key properties of 3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine?
3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine has a molecular weight of 244.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-ethylpyrrolidine;3-methoxypyrrolidine is sourced from PubChem (CID 143486039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).