3-bromo-2-tert-butyl-1,5-dimethylpyrrole

C10H16BrN — CID 153449547

IUPAC3-bromo-2-tert-butyl-1,5-dimethylpyrrole
SMILESCc1cc(Br)c(C(C)(C)C)n1C
InChIInChI=1S/C10H16BrN/c1-7-6-8(11)9(12(7)5)10(2,3)4/h6H,1-5H3
InChIKeySQMKMEWMLCQYBG-UHFFFAOYSA-N
MW230.15 g/mol
LogP3.39
Rot. Bonds

About 3-bromo-2-tert-butyl-1,5-dimethylpyrrole

3-bromo-2-tert-butyl-1,5-dimethylpyrrole (PubChem CID 153449547) has the molecular formula C10H16BrN and a molecular weight of 230.15 g/mol. Its IUPAC name is 3-bromo-2-tert-butyl-1,5-dimethylpyrrole.

Molecular Properties

Compound Name3-bromo-2-tert-butyl-1,5-dimethylpyrrole
PubChem CID153449547
Molecular FormulaC10H16BrN
Molecular Weight230.15 g/mol
Exact Mass229.05
IUPAC Name3-bromo-2-tert-butyl-1,5-dimethylpyrrole
SMILESCc1cc(Br)c(C(C)(C)C)n1C
InChIInChI=1S/C10H16BrN/c1-7-6-8(11)9(12(7)5)10(2,3)4/h6H,1-5H3
InChIKeySQMKMEWMLCQYBG-UHFFFAOYSA-N
XLogP3.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-2-tert-butyl-1,5-dimethylpyrrole 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 3-bromo-2-tert-butyl-1,5-dimethylpyrrole?
The IUPAC name of 3-bromo-2-tert-butyl-1,5-dimethylpyrrole (CID 153449547) is 3-bromo-2-tert-butyl-1,5-dimethylpyrrole.
What is the SMILES notation for 3-bromo-2-tert-butyl-1,5-dimethylpyrrole?
The canonical SMILES for 3-bromo-2-tert-butyl-1,5-dimethylpyrrole is Cc1cc(Br)c(C(C)(C)C)n1C.
What is the InChIKey of 3-bromo-2-tert-butyl-1,5-dimethylpyrrole?
The InChIKey is SQMKMEWMLCQYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN/c1-7-6-8(11)9(12(7)5)10(2,3)4/h6H,1-5H3.
What are the key properties of 3-bromo-2-tert-butyl-1,5-dimethylpyrrole?
3-bromo-2-tert-butyl-1,5-dimethylpyrrole has a molecular weight of 230.15 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-tert-butyl-1,5-dimethylpyrrole is sourced from PubChem (CID 153449547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).