4-ethyl-2,5-dimethyl-3H-pyrrole

C8H13N — CID 20765952

IUPAC4-ethyl-2,5-dimethyl-3H-pyrrole
SMILESCCC1=C(C)N=C(C)C1
InChIInChI=1S/C8H13N/c1-4-8-5-6(2)9-7(8)3/h4-5H2,1-3H3
InChIKeyNGTUNSQWHBYJRB-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.54
Rot. Bonds1

About 4-ethyl-2,5-dimethyl-3H-pyrrole

4-ethyl-2,5-dimethyl-3H-pyrrole (PubChem CID 20765952) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 4-ethyl-2,5-dimethyl-3H-pyrrole.

Molecular Properties

Compound Name4-ethyl-2,5-dimethyl-3H-pyrrole
PubChem CID20765952
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name4-ethyl-2,5-dimethyl-3H-pyrrole
SMILESCCC1=C(C)N=C(C)C1
InChIInChI=1S/C8H13N/c1-4-8-5-6(2)9-7(8)3/h4-5H2,1-3H3
InChIKeyNGTUNSQWHBYJRB-UHFFFAOYSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole
CID 89393939
2,6-Dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 145086520
2,3,3,4,5-Pentamethylpyrrole
CID 301930
2,4,5-trimethyl-3H-pyrrole
CID 9793719
2,5,6-Trimethyl-3,4-dihydrocyclopenta[b]pyrrole
CID 20647158
2,4,5-Trimethyl-3,6-dihydrocyclopenta[b]pyrrole
CID 20647159
2-tert-butyl-4,5-dimethyl-3H-pyrrole
CID 21050596
4-ethyl-2,3,5-trimethyl-3H-pyrrole
CID 21054911
N,2,3-trimethylcyclopent-2-en-1-imine
CID 21303746
1,2,4,5-tetramethyl-3H-pyrrol-1-ium
CID 21335521
2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole
CID 23542589
2-methyl-4,5,6,7-tetrahydro-3H-indole
CID 23558734

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,5-dimethyl-3H-pyrrole?
The IUPAC name of 4-ethyl-2,5-dimethyl-3H-pyrrole (CID 20765952) is 4-ethyl-2,5-dimethyl-3H-pyrrole.
What is the SMILES notation for 4-ethyl-2,5-dimethyl-3H-pyrrole?
The canonical SMILES for 4-ethyl-2,5-dimethyl-3H-pyrrole is CCC1=C(C)N=C(C)C1.
What is the InChIKey of 4-ethyl-2,5-dimethyl-3H-pyrrole?
The InChIKey is NGTUNSQWHBYJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-4-8-5-6(2)9-7(8)3/h4-5H2,1-3H3.
What are the key properties of 4-ethyl-2,5-dimethyl-3H-pyrrole?
4-ethyl-2,5-dimethyl-3H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,5-dimethyl-3H-pyrrole is sourced from PubChem (CID 20765952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).