1-[2-[2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole

C16H24N2O3 — CID 101411427

IUPAC1-[2-[2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole
SMILESc1ccn(CCOCCOCCOCCn2cccc2)c1
InChIInChI=1S/C16H24N2O3/c1-2-6-17(5-1)9-11-19-13-15-21-16-14-20-12-10-18-7-3-4-8-18/h1-8H,9-16H2
InChIKeyQKXKKAFBPMWXFC-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.04
Rot. Bonds12

About 1-[2-[2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole

1-[2-[2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole (PubChem CID 101411427) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole.

Molecular Properties

Compound Name1-[2-[2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole
PubChem CID101411427
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[2-[2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole
SMILESc1ccn(CCOCCOCCOCCn2cccc2)c1
InChIInChI=1S/C16H24N2O3/c1-2-6-17(5-1)9-11-19-13-15-21-16-14-20-12-10-18-7-3-4-8-18/h1-8H,9-16H2
InChIKeyQKXKKAFBPMWXFC-UHFFFAOYSA-N
XLogP2.04
TPSA37.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole?
The IUPAC name of 1-[2-[2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole (CID 101411427) is 1-[2-[2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole.
What is the SMILES notation for 1-[2-[2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole?
The canonical SMILES for 1-[2-[2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole is c1ccn(CCOCCOCCOCCn2cccc2)c1.
What is the InChIKey of 1-[2-[2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole?
The InChIKey is QKXKKAFBPMWXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-6-17(5-1)9-11-19-13-15-21-16-14-20-12-10-18-7-3-4-8-18/h1-8H,9-16H2.
What are the key properties of 1-[2-[2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole?
1-[2-[2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole has a molecular weight of 292.38 g/mol, XLogP of 2.04, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-pyrrol-1-ylethoxy)ethoxy]ethoxy]ethyl]pyrrole is sourced from PubChem (CID 101411427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).