1-[2-(2-methoxyethoxy)ethyl]pyrrole

C9H15NO2 — CID 14814649

IUPAC1-[2-(2-methoxyethoxy)ethyl]pyrrole
SMILESCOCCOCCn1cccc1
InChIInChI=1S/C9H15NO2/c1-11-8-9-12-7-6-10-4-2-3-5-10/h2-5H,6-9H2,1H3
InChIKeyDGGJUMVJPDKRKL-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.15
Rot. Bonds6

About 1-[2-(2-methoxyethoxy)ethyl]pyrrole

1-[2-(2-methoxyethoxy)ethyl]pyrrole (PubChem CID 14814649) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]pyrrole.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]pyrrole
PubChem CID14814649
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]pyrrole
SMILESCOCCOCCn1cccc1
InChIInChI=1S/C9H15NO2/c1-11-8-9-12-7-6-10-4-2-3-5-10/h2-5H,6-9H2,1H3
InChIKeyDGGJUMVJPDKRKL-UHFFFAOYSA-N
XLogP1.15
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.15
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 1-[2-(2-methoxyethoxy)ethyl]pyrrole?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]pyrrole (CID 14814649) is 1-[2-(2-methoxyethoxy)ethyl]pyrrole.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]pyrrole?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]pyrrole is COCCOCCn1cccc1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]pyrrole?
The InChIKey is DGGJUMVJPDKRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-11-8-9-12-7-6-10-4-2-3-5-10/h2-5H,6-9H2,1H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]pyrrole?
1-[2-(2-methoxyethoxy)ethyl]pyrrole has a molecular weight of 169.22 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]pyrrole is sourced from PubChem (CID 14814649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).