5-(ethoxymethyl)-4-methyl-2H-pyrrole

C8H13NO — CID 157205589

IUPAC5-(ethoxymethyl)-4-methyl-2H-pyrrole
SMILESCCOCC1=NCC=C1C
InChIInChI=1S/C8H13NO/c1-3-10-6-8-7(2)4-5-9-8/h4H,3,5-6H2,1-2H3
InChIKeyLICSKHPHRYKZMG-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.42
Rot. Bonds3

About 5-(ethoxymethyl)-4-methyl-2H-pyrrole

5-(ethoxymethyl)-4-methyl-2H-pyrrole (PubChem CID 157205589) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-(ethoxymethyl)-4-methyl-2H-pyrrole.

Molecular Properties

Compound Name5-(ethoxymethyl)-4-methyl-2H-pyrrole
PubChem CID157205589
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-(ethoxymethyl)-4-methyl-2H-pyrrole
SMILESCCOCC1=NCC=C1C
InChIInChI=1S/C8H13NO/c1-3-10-6-8-7(2)4-5-9-8/h4H,3,5-6H2,1-2H3
InChIKeyLICSKHPHRYKZMG-UHFFFAOYSA-N
XLogP1.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-4-methyl-2H-pyrrole?
The IUPAC name of 5-(ethoxymethyl)-4-methyl-2H-pyrrole (CID 157205589) is 5-(ethoxymethyl)-4-methyl-2H-pyrrole.
What is the SMILES notation for 5-(ethoxymethyl)-4-methyl-2H-pyrrole?
The canonical SMILES for 5-(ethoxymethyl)-4-methyl-2H-pyrrole is CCOCC1=NCC=C1C.
What is the InChIKey of 5-(ethoxymethyl)-4-methyl-2H-pyrrole?
The InChIKey is LICSKHPHRYKZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-10-6-8-7(2)4-5-9-8/h4H,3,5-6H2,1-2H3.
What are the key properties of 5-(ethoxymethyl)-4-methyl-2H-pyrrole?
5-(ethoxymethyl)-4-methyl-2H-pyrrole has a molecular weight of 139.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-4-methyl-2H-pyrrole is sourced from PubChem (CID 157205589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).