2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole

C11H21NO3 — CID 175386646

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole
SMILESCOCCOCCOCCC1C=CCN1
InChIInChI=1S/C11H21NO3/c1-13-7-8-15-10-9-14-6-4-11-3-2-5-12-11/h2-3,11-12H,4-10H2,1H3
InChIKeyQMUPFEMELMRLKD-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.58
Rot. Bonds9

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole

2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole (PubChem CID 175386646) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole
PubChem CID175386646
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole
SMILESCOCCOCCOCCC1C=CCN1
InChIInChI=1S/C11H21NO3/c1-13-7-8-15-10-9-14-6-4-11-3-2-5-12-11/h2-3,11-12H,4-10H2,1H3
InChIKeyQMUPFEMELMRLKD-UHFFFAOYSA-N
XLogP0.58
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole (CID 175386646) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole is COCCOCCOCCC1C=CCN1.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole?
The InChIKey is QMUPFEMELMRLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-13-7-8-15-10-9-14-6-4-11-3-2-5-12-11/h2-3,11-12H,4-10H2,1H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole has a molecular weight of 215.29 g/mol, XLogP of 0.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 175386646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).