2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole

C6H8N2 — CID 129192389

IUPAC2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole
SMILESC1=C2CNCC2=NC1
InChIInChI=1S/C6H8N2/c1-2-8-6-4-7-3-5(1)6/h1,7H,2-4H2
InChIKeyPQDANXCNUDIWJD-UHFFFAOYSA-N
MW108.14 g/mol
LogP-0.03
Rot. Bonds

About 2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole

2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole (PubChem CID 129192389) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole.

Molecular Properties

Compound Name2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole
PubChem CID129192389
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole
SMILESC1=C2CNCC2=NC1
InChIInChI=1S/C6H8N2/c1-2-8-6-4-7-3-5(1)6/h1,7H,2-4H2
InChIKeyPQDANXCNUDIWJD-UHFFFAOYSA-N
XLogP-0.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole?
The IUPAC name of 2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole (CID 129192389) is 2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole.
What is the SMILES notation for 2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole?
The canonical SMILES for 2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole is C1=C2CNCC2=NC1.
What is the InChIKey of 2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole?
The InChIKey is PQDANXCNUDIWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-8-6-4-7-3-5(1)6/h1,7H,2-4H2.
What are the key properties of 2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole?
2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole has a molecular weight of 108.14 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole is sourced from PubChem (CID 129192389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).