3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole

C11H19NO3 — CID 15180745

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole
SMILESCOCCOCCOCCc1cc[nH]c1
InChIInChI=1S/C11H19NO3/c1-13-6-7-15-9-8-14-5-3-11-2-4-12-10-11/h2,4,10,12H,3,5-9H2,1H3
InChIKeyNABOBFXILHMFOJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.24
Rot. Bonds9

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole

3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole (PubChem CID 15180745) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole
PubChem CID15180745
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole
SMILESCOCCOCCOCCc1cc[nH]c1
InChIInChI=1S/C11H19NO3/c1-13-6-7-15-9-8-14-5-3-11-2-4-12-10-11/h2,4,10,12H,3,5-9H2,1H3
InChIKeyNABOBFXILHMFOJ-UHFFFAOYSA-N
XLogP1.24
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
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 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole (CID 15180745) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole is COCCOCCOCCc1cc[nH]c1.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole?
The InChIKey is NABOBFXILHMFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-13-6-7-15-9-8-14-5-3-11-2-4-12-10-11/h2,4,10,12H,3,5-9H2,1H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole has a molecular weight of 213.28 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-pyrrole is sourced from PubChem (CID 15180745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).