2,3-ditert-butyl-5-methyl-2H-pyrrole

C13H23N — CID 59865772

IUPAC2,3-ditert-butyl-5-methyl-2H-pyrrole
SMILESCC1=NC(C(C)(C)C)C(C(C)(C)C)=C1
InChIInChI=1S/C13H23N/c1-9-8-10(12(2,3)4)11(14-9)13(5,6)7/h8,11H,1-7H3
InChIKeyLZRWDFRXZLKXRA-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.85
Rot. Bonds

About 2,3-ditert-butyl-5-methyl-2H-pyrrole

2,3-ditert-butyl-5-methyl-2H-pyrrole (PubChem CID 59865772) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2,3-ditert-butyl-5-methyl-2H-pyrrole.

Molecular Properties

Compound Name2,3-ditert-butyl-5-methyl-2H-pyrrole
PubChem CID59865772
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2,3-ditert-butyl-5-methyl-2H-pyrrole
SMILESCC1=NC(C(C)(C)C)C(C(C)(C)C)=C1
InChIInChI=1S/C13H23N/c1-9-8-10(12(2,3)4)11(14-9)13(5,6)7/h8,11H,1-7H3
InChIKeyLZRWDFRXZLKXRA-UHFFFAOYSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-ditert-butyl-5-methyl-2H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-5-methyl-2H-pyrrole?
The IUPAC name of 2,3-ditert-butyl-5-methyl-2H-pyrrole (CID 59865772) is 2,3-ditert-butyl-5-methyl-2H-pyrrole.
What is the SMILES notation for 2,3-ditert-butyl-5-methyl-2H-pyrrole?
The canonical SMILES for 2,3-ditert-butyl-5-methyl-2H-pyrrole is CC1=NC(C(C)(C)C)C(C(C)(C)C)=C1.
What is the InChIKey of 2,3-ditert-butyl-5-methyl-2H-pyrrole?
The InChIKey is LZRWDFRXZLKXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9-8-10(12(2,3)4)11(14-9)13(5,6)7/h8,11H,1-7H3.
What are the key properties of 2,3-ditert-butyl-5-methyl-2H-pyrrole?
2,3-ditert-butyl-5-methyl-2H-pyrrole has a molecular weight of 193.33 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-5-methyl-2H-pyrrole is sourced from PubChem (CID 59865772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).