3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole

C10H17NO2 — CID 19768085

IUPAC3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole
SMILESCCOCCOCCc1cc[nH]c1
InChIInChI=1S/C10H17NO2/c1-2-12-7-8-13-6-4-10-3-5-11-9-10/h3,5,9,11H,2,4,6-8H2,1H3
InChIKeyYVHOSNFFUBXTAI-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.61
Rot. Bonds7

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

3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole (PubChem CID 19768085) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole.

Molecular Properties

Compound Name3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole
PubChem CID19768085
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole
SMILESCCOCCOCCc1cc[nH]c1
InChIInChI=1S/C10H17NO2/c1-2-12-7-8-13-6-4-10-3-5-11-9-10/h3,5,9,11H,2,4,6-8H2,1H3
InChIKeyYVHOSNFFUBXTAI-UHFFFAOYSA-N
XLogP1.61
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole?
The IUPAC name of 3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole (CID 19768085) is 3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole.
What is the SMILES notation for 3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole?
The canonical SMILES for 3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole is CCOCCOCCc1cc[nH]c1.
What is the InChIKey of 3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole?
The InChIKey is YVHOSNFFUBXTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-12-7-8-13-6-4-10-3-5-11-9-10/h3,5,9,11H,2,4,6-8H2,1H3.
What are the key properties of 3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole?
3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole has a molecular weight of 183.25 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyethoxy)ethyl]-1H-pyrrole is sourced from PubChem (CID 19768085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).