4-(2-methoxyethyl)-2H-pyrrole

C7H11NO — CID 58483121

IUPAC4-(2-methoxyethyl)-2H-pyrrole
SMILESCOCCC1=CCN=C1
InChIInChI=1S/C7H11NO/c1-9-5-3-7-2-4-8-6-7/h2,6H,3-5H2,1H3
InChIKeyHMGHZFBVYYAITB-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.03
Rot. Bonds3

About 4-(2-methoxyethyl)-2H-pyrrole

4-(2-methoxyethyl)-2H-pyrrole (PubChem CID 58483121) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-2H-pyrrole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-2H-pyrrole
PubChem CID58483121
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-(2-methoxyethyl)-2H-pyrrole
SMILESCOCCC1=CCN=C1
InChIInChI=1S/C7H11NO/c1-9-5-3-7-2-4-8-6-7/h2,6H,3-5H2,1H3
InChIKeyHMGHZFBVYYAITB-UHFFFAOYSA-N
XLogP1.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-2H-pyrrole?
The IUPAC name of 4-(2-methoxyethyl)-2H-pyrrole (CID 58483121) is 4-(2-methoxyethyl)-2H-pyrrole.
What is the SMILES notation for 4-(2-methoxyethyl)-2H-pyrrole?
The canonical SMILES for 4-(2-methoxyethyl)-2H-pyrrole is COCCC1=CCN=C1.
What is the InChIKey of 4-(2-methoxyethyl)-2H-pyrrole?
The InChIKey is HMGHZFBVYYAITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-9-5-3-7-2-4-8-6-7/h2,6H,3-5H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-2H-pyrrole?
4-(2-methoxyethyl)-2H-pyrrole has a molecular weight of 125.17 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-2H-pyrrole is sourced from PubChem (CID 58483121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).