3,6a-dihydropyrrolo[2,3-b]pyrrole

C6H6N2 — CID 91154870

IUPAC3,6a-dihydropyrrolo[2,3-b]pyrrole
SMILESC1=NC2N=CCC2=C1
InChIInChI=1S/C6H6N2/c1-3-7-6-5(1)2-4-8-6/h1,3-4,6H,2H2
InChIKeyISFMNUCMZJQZMT-UHFFFAOYSA-N
MW106.13 g/mol
LogP0.80
Rot. Bonds

About 3,6a-dihydropyrrolo[2,3-b]pyrrole

3,6a-dihydropyrrolo[2,3-b]pyrrole (PubChem CID 91154870) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 3,6a-dihydropyrrolo[2,3-b]pyrrole.

Molecular Properties

Compound Name3,6a-dihydropyrrolo[2,3-b]pyrrole
PubChem CID91154870
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name3,6a-dihydropyrrolo[2,3-b]pyrrole
SMILESC1=NC2N=CCC2=C1
InChIInChI=1S/C6H6N2/c1-3-7-6-5(1)2-4-8-6/h1,3-4,6H,2H2
InChIKeyISFMNUCMZJQZMT-UHFFFAOYSA-N
XLogP0.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
CID 90924180
3-(2H-pyrrol-4-yl)-2H-pyrrole
CID 153878764

Frequently Asked Questions

What is the IUPAC name of 3,6a-dihydropyrrolo[2,3-b]pyrrole?
The IUPAC name of 3,6a-dihydropyrrolo[2,3-b]pyrrole (CID 91154870) is 3,6a-dihydropyrrolo[2,3-b]pyrrole.
What is the SMILES notation for 3,6a-dihydropyrrolo[2,3-b]pyrrole?
The canonical SMILES for 3,6a-dihydropyrrolo[2,3-b]pyrrole is C1=NC2N=CCC2=C1.
What is the InChIKey of 3,6a-dihydropyrrolo[2,3-b]pyrrole?
The InChIKey is ISFMNUCMZJQZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c1-3-7-6-5(1)2-4-8-6/h1,3-4,6H,2H2.
What are the key properties of 3,6a-dihydropyrrolo[2,3-b]pyrrole?
3,6a-dihydropyrrolo[2,3-b]pyrrole has a molecular weight of 106.13 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6a-dihydropyrrolo[2,3-b]pyrrole is sourced from PubChem (CID 91154870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).