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

C11H19N — CID 89220671

IUPAC2-tert-butyl-3-ethyl-5-methyl-2H-pyrrole
SMILESCCC1=CC(C)=NC1C(C)(C)C
InChIInChI=1S/C11H19N/c1-6-9-7-8(2)12-10(9)11(3,4)5/h7,10H,6H2,1-5H3
InChIKeyNTRPSTRDKKYQHV-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds1

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

2-tert-butyl-3-ethyl-5-methyl-2H-pyrrole (PubChem CID 89220671) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-tert-butyl-3-ethyl-5-methyl-2H-pyrrole.

Molecular Properties

Compound Name2-tert-butyl-3-ethyl-5-methyl-2H-pyrrole
PubChem CID89220671
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-tert-butyl-3-ethyl-5-methyl-2H-pyrrole
SMILESCCC1=CC(C)=NC1C(C)(C)C
InChIInChI=1S/C11H19N/c1-6-9-7-8(2)12-10(9)11(3,4)5/h7,10H,6H2,1-5H3
InChIKeyNTRPSTRDKKYQHV-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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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-ethyl-5-methyl-2H-pyrrole?
The IUPAC name of 2-tert-butyl-3-ethyl-5-methyl-2H-pyrrole (CID 89220671) is 2-tert-butyl-3-ethyl-5-methyl-2H-pyrrole.
What is the SMILES notation for 2-tert-butyl-3-ethyl-5-methyl-2H-pyrrole?
The canonical SMILES for 2-tert-butyl-3-ethyl-5-methyl-2H-pyrrole is CCC1=CC(C)=NC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-ethyl-5-methyl-2H-pyrrole?
The InChIKey is NTRPSTRDKKYQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-6-9-7-8(2)12-10(9)11(3,4)5/h7,10H,6H2,1-5H3.
What are the key properties of 2-tert-butyl-3-ethyl-5-methyl-2H-pyrrole?
2-tert-butyl-3-ethyl-5-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 2-tert-butyl-3-ethyl-5-methyl-2H-pyrrole is sourced from PubChem (CID 89220671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).