3-(2-ethoxyethyl)-1H-pyrrole

C8H13NO — CID 19768086

IUPAC3-(2-ethoxyethyl)-1H-pyrrole
SMILESCCOCCc1cc[nH]c1
InChIInChI=1S/C8H13NO/c1-2-10-6-4-8-3-5-9-7-8/h3,5,7,9H,2,4,6H2,1H3
InChIKeyAITQUBPJWZTTHW-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.59
Rot. Bonds4

About 3-(2-ethoxyethyl)-1H-pyrrole

3-(2-ethoxyethyl)-1H-pyrrole (PubChem CID 19768086) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-1H-pyrrole
PubChem CID19768086
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-(2-ethoxyethyl)-1H-pyrrole
SMILESCCOCCc1cc[nH]c1
InChIInChI=1S/C8H13NO/c1-2-10-6-4-8-3-5-9-7-8/h3,5,7,9H,2,4,6H2,1H3
InChIKeyAITQUBPJWZTTHW-UHFFFAOYSA-N
XLogP1.59
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethoxyethyl)-1H-pyrrole?
The IUPAC name of 3-(2-ethoxyethyl)-1H-pyrrole (CID 19768086) is 3-(2-ethoxyethyl)-1H-pyrrole.
What is the SMILES notation for 3-(2-ethoxyethyl)-1H-pyrrole?
The canonical SMILES for 3-(2-ethoxyethyl)-1H-pyrrole is CCOCCc1cc[nH]c1.
What is the InChIKey of 3-(2-ethoxyethyl)-1H-pyrrole?
The InChIKey is AITQUBPJWZTTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-10-6-4-8-3-5-9-7-8/h3,5,7,9H,2,4,6H2,1H3.
What are the key properties of 3-(2-ethoxyethyl)-1H-pyrrole?
3-(2-ethoxyethyl)-1H-pyrrole has a molecular weight of 139.20 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-1H-pyrrole is sourced from PubChem (CID 19768086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).