4,5-dimethylpyrrolo[2,3-b]pyrrole

C8H8N2 — CID 90315707

IUPAC4,5-dimethylpyrrolo[2,3-b]pyrrole
SMILESCC1=NC2=NC=CC2=C1C
InChIInChI=1S/C8H8N2/c1-5-6(2)10-8-7(5)3-4-9-8/h3-4H,1-2H3
InChIKeyWFLRCVKBTZFZQW-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.70
Rot. Bonds

About 4,5-dimethylpyrrolo[2,3-b]pyrrole

4,5-dimethylpyrrolo[2,3-b]pyrrole (PubChem CID 90315707) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 4,5-dimethylpyrrolo[2,3-b]pyrrole.

Molecular Properties

Compound Name4,5-dimethylpyrrolo[2,3-b]pyrrole
PubChem CID90315707
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name4,5-dimethylpyrrolo[2,3-b]pyrrole
SMILESCC1=NC2=NC=CC2=C1C
InChIInChI=1S/C8H8N2/c1-5-6(2)10-8-7(5)3-4-9-8/h3-4H,1-2H3
InChIKeyWFLRCVKBTZFZQW-UHFFFAOYSA-N
XLogP1.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylpyrrolo[2,3-b]pyrrole?
The IUPAC name of 4,5-dimethylpyrrolo[2,3-b]pyrrole (CID 90315707) is 4,5-dimethylpyrrolo[2,3-b]pyrrole.
What is the SMILES notation for 4,5-dimethylpyrrolo[2,3-b]pyrrole?
The canonical SMILES for 4,5-dimethylpyrrolo[2,3-b]pyrrole is CC1=NC2=NC=CC2=C1C.
What is the InChIKey of 4,5-dimethylpyrrolo[2,3-b]pyrrole?
The InChIKey is WFLRCVKBTZFZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-5-6(2)10-8-7(5)3-4-9-8/h3-4H,1-2H3.
What are the key properties of 4,5-dimethylpyrrolo[2,3-b]pyrrole?
4,5-dimethylpyrrolo[2,3-b]pyrrole has a molecular weight of 132.17 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylpyrrolo[2,3-b]pyrrole is sourced from PubChem (CID 90315707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).