4-ethyl-5-methyl-3H-pyrrole

C7H11N — CID 20767300

IUPAC4-ethyl-5-methyl-3H-pyrrole
SMILESCCC1=C(C)N=CC1
InChIInChI=1S/C7H11N/c1-3-7-4-5-8-6(7)2/h5H,3-4H2,1-2H3
InChIKeyHTBSWLPGVWBHJQ-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.14
Rot. Bonds1

About 4-ethyl-5-methyl-3H-pyrrole

4-ethyl-5-methyl-3H-pyrrole (PubChem CID 20767300) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 4-ethyl-5-methyl-3H-pyrrole.

Molecular Properties

Compound Name4-ethyl-5-methyl-3H-pyrrole
PubChem CID20767300
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name4-ethyl-5-methyl-3H-pyrrole
SMILESCCC1=C(C)N=CC1
InChIInChI=1S/C7H11N/c1-3-7-4-5-8-6(7)2/h5H,3-4H2,1-2H3
InChIKeyHTBSWLPGVWBHJQ-UHFFFAOYSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-3H-pyrrole?
The IUPAC name of 4-ethyl-5-methyl-3H-pyrrole (CID 20767300) is 4-ethyl-5-methyl-3H-pyrrole.
What is the SMILES notation for 4-ethyl-5-methyl-3H-pyrrole?
The canonical SMILES for 4-ethyl-5-methyl-3H-pyrrole is CCC1=C(C)N=CC1.
What is the InChIKey of 4-ethyl-5-methyl-3H-pyrrole?
The InChIKey is HTBSWLPGVWBHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-7-4-5-8-6(7)2/h5H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-3H-pyrrole?
4-ethyl-5-methyl-3H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-3H-pyrrole is sourced from PubChem (CID 20767300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).