5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole

C9H17NO2 — CID 558723

IUPAC5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole
SMILESCCOCC1CCC(OCC)=N1
InChIInChI=1S/C9H17NO2/c1-3-11-7-8-5-6-9(10-8)12-4-2/h8H,3-7H2,1-2H3
InChIKeyGHAQTJIGMDTQEU-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.62
Rot. Bonds4

About 5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole

5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole (PubChem CID 558723) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole
PubChem CID558723
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole
SMILESCCOCC1CCC(OCC)=N1
InChIInChI=1S/C9H17NO2/c1-3-11-7-8-5-6-9(10-8)12-4-2/h8H,3-7H2,1-2H3
InChIKeyGHAQTJIGMDTQEU-UHFFFAOYSA-N
XLogP1.62
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole (CID 558723) is 5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole is CCOCC1CCC(OCC)=N1.
What is the InChIKey of 5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is GHAQTJIGMDTQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-11-7-8-5-6-9(10-8)12-4-2/h8H,3-7H2,1-2H3.
What are the key properties of 5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole?
5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 171.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(ethoxymethyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 558723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).