2-(2-methoxyethyl)-1H-pyrrole

C7H11NO — CID 70116720

IUPAC2-(2-methoxyethyl)-1H-pyrrole
SMILESCOCCc1ccc[nH]1
InChIInChI=1S/C7H11NO/c1-9-6-4-7-3-2-5-8-7/h2-3,5,8H,4,6H2,1H3
InChIKeyWODKZGCBGGRFHA-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.20
Rot. Bonds3

About 2-(2-methoxyethyl)-1H-pyrrole

2-(2-methoxyethyl)-1H-pyrrole (PubChem CID 70116720) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1H-pyrrole
PubChem CID70116720
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-(2-methoxyethyl)-1H-pyrrole
SMILESCOCCc1ccc[nH]1
InChIInChI=1S/C7H11NO/c1-9-6-4-7-3-2-5-8-7/h2-3,5,8H,4,6H2,1H3
InChIKeyWODKZGCBGGRFHA-UHFFFAOYSA-N
XLogP1.20
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1H-pyrrole?
The IUPAC name of 2-(2-methoxyethyl)-1H-pyrrole (CID 70116720) is 2-(2-methoxyethyl)-1H-pyrrole.
What is the SMILES notation for 2-(2-methoxyethyl)-1H-pyrrole?
The canonical SMILES for 2-(2-methoxyethyl)-1H-pyrrole is COCCc1ccc[nH]1.
What is the InChIKey of 2-(2-methoxyethyl)-1H-pyrrole?
The InChIKey is WODKZGCBGGRFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-9-6-4-7-3-2-5-8-7/h2-3,5,8H,4,6H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-1H-pyrrole?
2-(2-methoxyethyl)-1H-pyrrole has a molecular weight of 125.17 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1H-pyrrole is sourced from PubChem (CID 70116720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).