4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole

C11H19N — CID 157256070

IUPAC4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole
SMILESCCC1=NC(C)=C(C(C)(C)C)C1
InChIInChI=1S/C11H19N/c1-6-9-7-10(8(2)12-9)11(3,4)5/h6-7H2,1-5H3
InChIKeyIJKGXEYSHCISAB-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.56
Rot. Bonds1

About 4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole

4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole (PubChem CID 157256070) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole.

Molecular Properties

Compound Name4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole
PubChem CID157256070
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole
SMILESCCC1=NC(C)=C(C(C)(C)C)C1
InChIInChI=1S/C11H19N/c1-6-9-7-10(8(2)12-9)11(3,4)5/h6-7H2,1-5H3
InChIKeyIJKGXEYSHCISAB-UHFFFAOYSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tri-tert-butylazete
CID 13661469
5-Tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 143994943
2,3,3,4,5-Pentamethylpyrrole
CID 301930
2-tert-butyl-4,5-dimethyl-3H-pyrrole
CID 21050596
3,4,5,6-Tetramethyl-2-propan-2-yl-3,4-dihydropyridine
CID 57757693
2,3,3,4,4,5,6-Heptamethylpyridine
CID 58108493
2-methyl-4,5-di(propan-2-yl)-3H-pyrrole
CID 58201783
2-(2,4-Dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+)
CID 58746480
4,5-dimethyl-2-propan-2-yl-3H-pyrrole
CID 58746494
3,3,4,4-Tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole
CID 58795703
2,4,5-tri(propan-2-yl)-3H-pyrrole
CID 59300719
4,5-ditert-butyl-2-methyl-3H-pyrrole
CID 59636879

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole?
The IUPAC name of 4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole (CID 157256070) is 4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole.
What is the SMILES notation for 4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole?
The canonical SMILES for 4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole is CCC1=NC(C)=C(C(C)(C)C)C1.
What is the InChIKey of 4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole?
The InChIKey is IJKGXEYSHCISAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-6-9-7-10(8(2)12-9)11(3,4)5/h6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole?
4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole is sourced from PubChem (CID 157256070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).