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

C6H6N2 — CID 122502596

IUPAC3,6-dihydropyrrolo[3,2-b]pyrrole
SMILESC1=NC2=C(C1)N=CC2
InChIInChI=1S/C6H6N2/c1-3-7-6-2-4-8-5(1)6/h3-4H,1-2H2
InChIKeyAUSSQIROGNLZBU-UHFFFAOYSA-N
MW106.13 g/mol
LogP1.15
Rot. Bonds

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

3,6-dihydropyrrolo[3,2-b]pyrrole (PubChem CID 122502596) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 3,6-dihydropyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name3,6-dihydropyrrolo[3,2-b]pyrrole
PubChem CID122502596
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name3,6-dihydropyrrolo[3,2-b]pyrrole
SMILESC1=NC2=C(C1)N=CC2
InChIInChI=1S/C6H6N2/c1-3-7-6-2-4-8-5(1)6/h3-4H,1-2H2
InChIKeyAUSSQIROGNLZBU-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydropyrrolo[3,2-b]pyrrole?
The IUPAC name of 3,6-dihydropyrrolo[3,2-b]pyrrole (CID 122502596) is 3,6-dihydropyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 3,6-dihydropyrrolo[3,2-b]pyrrole?
The canonical SMILES for 3,6-dihydropyrrolo[3,2-b]pyrrole is C1=NC2=C(C1)N=CC2.
What is the InChIKey of 3,6-dihydropyrrolo[3,2-b]pyrrole?
The InChIKey is AUSSQIROGNLZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c1-3-7-6-2-4-8-5(1)6/h3-4H,1-2H2.
What are the key properties of 3,6-dihydropyrrolo[3,2-b]pyrrole?
3,6-dihydropyrrolo[3,2-b]pyrrole has a molecular weight of 106.13 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydropyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 122502596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).