5-(2-methoxyethoxy)-3H-pyrrole

C7H11NO2 — CID 175268779

IUPAC5-(2-methoxyethoxy)-3H-pyrrole
SMILESCOCCOC1=CCC=N1
InChIInChI=1S/C7H11NO2/c1-9-5-6-10-7-3-2-4-8-7/h3-4H,2,5-6H2,1H3
InChIKeyAKGPOCVBJUBEFW-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.97
Rot. Bonds4

About 5-(2-methoxyethoxy)-3H-pyrrole

5-(2-methoxyethoxy)-3H-pyrrole (PubChem CID 175268779) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-3H-pyrrole.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-3H-pyrrole
PubChem CID175268779
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name5-(2-methoxyethoxy)-3H-pyrrole
SMILESCOCCOC1=CCC=N1
InChIInChI=1S/C7H11NO2/c1-9-5-6-10-7-3-2-4-8-7/h3-4H,2,5-6H2,1H3
InChIKeyAKGPOCVBJUBEFW-UHFFFAOYSA-N
XLogP0.97
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.97
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 5-(2-methoxyethoxy)-3H-pyrrole?
The IUPAC name of 5-(2-methoxyethoxy)-3H-pyrrole (CID 175268779) is 5-(2-methoxyethoxy)-3H-pyrrole.
What is the SMILES notation for 5-(2-methoxyethoxy)-3H-pyrrole?
The canonical SMILES for 5-(2-methoxyethoxy)-3H-pyrrole is COCCOC1=CCC=N1.
What is the InChIKey of 5-(2-methoxyethoxy)-3H-pyrrole?
The InChIKey is AKGPOCVBJUBEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-9-5-6-10-7-3-2-4-8-7/h3-4H,2,5-6H2,1H3.
What are the key properties of 5-(2-methoxyethoxy)-3H-pyrrole?
5-(2-methoxyethoxy)-3H-pyrrole has a molecular weight of 141.17 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-3H-pyrrole is sourced from PubChem (CID 175268779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).