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

C9H15NO2 — CID 15180744

IUPAC3-[2-(2-methoxyethoxy)ethyl]-1H-pyrrole
SMILESCOCCOCCc1cc[nH]c1
InChIInChI=1S/C9H15NO2/c1-11-6-7-12-5-3-9-2-4-10-8-9/h2,4,8,10H,3,5-7H2,1H3
InChIKeyKPCVVIYURXAHJT-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.22
Rot. Bonds6

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

3-[2-(2-methoxyethoxy)ethyl]-1H-pyrrole (PubChem CID 15180744) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethyl]-1H-pyrrole.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethyl]-1H-pyrrole
PubChem CID15180744
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-[2-(2-methoxyethoxy)ethyl]-1H-pyrrole
SMILESCOCCOCCc1cc[nH]c1
InChIInChI=1S/C9H15NO2/c1-11-6-7-12-5-3-9-2-4-10-8-9/h2,4,8,10H,3,5-7H2,1H3
InChIKeyKPCVVIYURXAHJT-UHFFFAOYSA-N
XLogP1.22
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxyethoxy)ethyl]-1H-pyrrole?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-1H-pyrrole (CID 15180744) is 3-[2-(2-methoxyethoxy)ethyl]-1H-pyrrole.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethyl]-1H-pyrrole?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethyl]-1H-pyrrole is COCCOCCc1cc[nH]c1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethyl]-1H-pyrrole?
The InChIKey is KPCVVIYURXAHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-11-6-7-12-5-3-9-2-4-10-8-9/h2,4,8,10H,3,5-7H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethyl]-1H-pyrrole?
3-[2-(2-methoxyethoxy)ethyl]-1H-pyrrole has a molecular weight of 169.22 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethyl]-1H-pyrrole is sourced from PubChem (CID 15180744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).