2-ethyl-4-methyl-1H-pyrrole

C7H11N — CID 522354

IUPAC2-ethyl-4-methyl-1H-pyrrole
SMILESCCc1cc(C)c[nH]1
InChIInChI=1S/C7H11N/c1-3-7-4-6(2)5-8-7/h4-5,8H,3H2,1-2H3
InChIKeyGALBJULHRGPJEG-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.89
Rot. Bonds1

About 2-ethyl-4-methyl-1H-pyrrole

2-ethyl-4-methyl-1H-pyrrole (PubChem CID 522354) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1H-pyrrole.

Molecular Properties

Compound Name2-ethyl-4-methyl-1H-pyrrole
PubChem CID522354
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-ethyl-4-methyl-1H-pyrrole
SMILESCCc1cc(C)c[nH]1
InChIInChI=1S/C7H11N/c1-3-7-4-6(2)5-8-7/h4-5,8H,3H2,1-2H3
InChIKeyGALBJULHRGPJEG-UHFFFAOYSA-N
XLogP1.89
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-1H-pyrrole?
The IUPAC name of 2-ethyl-4-methyl-1H-pyrrole (CID 522354) is 2-ethyl-4-methyl-1H-pyrrole.
What is the SMILES notation for 2-ethyl-4-methyl-1H-pyrrole?
The canonical SMILES for 2-ethyl-4-methyl-1H-pyrrole is CCc1cc(C)c[nH]1.
What is the InChIKey of 2-ethyl-4-methyl-1H-pyrrole?
The InChIKey is GALBJULHRGPJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-7-4-6(2)5-8-7/h4-5,8H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-1H-pyrrole?
2-ethyl-4-methyl-1H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-1H-pyrrole is sourced from PubChem (CID 522354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).