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

C11H19N — CID 148945852

IUPAC4-tert-butyl-5-ethyl-3-methyl-2H-pyrrole
SMILESCCC1=NCC(C)=C1C(C)(C)C
InChIInChI=1S/C11H19N/c1-6-9-10(11(3,4)5)8(2)7-12-9/h6-7H2,1-5H3
InChIKeyPOXLTZDTWVLCEQ-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds1

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

4-tert-butyl-5-ethyl-3-methyl-2H-pyrrole (PubChem CID 148945852) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-tert-butyl-5-ethyl-3-methyl-2H-pyrrole.

Molecular Properties

Compound Name4-tert-butyl-5-ethyl-3-methyl-2H-pyrrole
PubChem CID148945852
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-tert-butyl-5-ethyl-3-methyl-2H-pyrrole
SMILESCCC1=NCC(C)=C1C(C)(C)C
InChIInChI=1S/C11H19N/c1-6-9-10(11(3,4)5)8(2)7-12-9/h6-7H2,1-5H3
InChIKeyPOXLTZDTWVLCEQ-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-5-methyl-3-(trifluoromethyl)-2H-pyrrole
CID 148731221
4-tert-butyl-3-(difluoromethyl)-5-methyl-2H-pyrrole
CID 149211162
2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine
CID 20647017
2-tert-butyl-4,5-dimethyl-3H-pyrrole
CID 21050596
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
5-tert-butyl-4-methyl-2H-pyrrole
CID 58099547
3,5-ditert-butyl-2H-pyrrole
CID 58139020
2,4,5-tri(propan-2-yl)-2H-pyrrole
CID 58164706
4-tert-butyl-3,5-dimethyl-2H-pyrrole
CID 58186510
4-tert-butyl-5-methyl-2H-pyrrole
CID 58263540
4-tert-butyl-5-ethenyl-2H-pyrrole
CID 58263748
(Z)-N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine
CID 58299412

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-ethyl-3-methyl-2H-pyrrole?
The IUPAC name of 4-tert-butyl-5-ethyl-3-methyl-2H-pyrrole (CID 148945852) is 4-tert-butyl-5-ethyl-3-methyl-2H-pyrrole.
What is the SMILES notation for 4-tert-butyl-5-ethyl-3-methyl-2H-pyrrole?
The canonical SMILES for 4-tert-butyl-5-ethyl-3-methyl-2H-pyrrole is CCC1=NCC(C)=C1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-ethyl-3-methyl-2H-pyrrole?
The InChIKey is POXLTZDTWVLCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-6-9-10(11(3,4)5)8(2)7-12-9/h6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-5-ethyl-3-methyl-2H-pyrrole?
4-tert-butyl-5-ethyl-3-methyl-2H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-ethyl-3-methyl-2H-pyrrole is sourced from PubChem (CID 148945852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).