2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole

C14H22N2 — CID 134451247

IUPAC2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole
SMILESCC(C)(C)C1=NC2=C(C1)N=C(C(C)(C)C)C2
InChIInChI=1S/C14H22N2/c1-13(2,3)11-7-9-10(15-11)8-12(16-9)14(4,5)6/h7-8H2,1-6H3
InChIKeyLPWXXKSLYMRAFY-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.98
Rot. Bonds

About 2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole

2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole (PubChem CID 134451247) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole
PubChem CID134451247
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole
SMILESCC(C)(C)C1=NC2=C(C1)N=C(C(C)(C)C)C2
InChIInChI=1S/C14H22N2/c1-13(2,3)11-7-9-10(15-11)8-12(16-9)14(4,5)6/h7-8H2,1-6H3
InChIKeyLPWXXKSLYMRAFY-UHFFFAOYSA-N
XLogP3.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]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 2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole?
The IUPAC name of 2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole (CID 134451247) is 2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole?
The canonical SMILES for 2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole is CC(C)(C)C1=NC2=C(C1)N=C(C(C)(C)C)C2.
What is the InChIKey of 2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole?
The InChIKey is LPWXXKSLYMRAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-13(2,3)11-7-9-10(15-11)8-12(16-9)14(4,5)6/h7-8H2,1-6H3.
What are the key properties of 2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole?
2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole has a molecular weight of 218.34 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 134451247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).