1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole

C6H8N2 — CID 90889111

IUPAC1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole
SMILESC1=C2CCNC2=NC1
InChIInChI=1S/C6H8N2/c1-3-7-6-5(1)2-4-8-6/h1H,2-4H2,(H,7,8)
InChIKeyMHYUOZHRQHWPMH-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.32
Rot. Bonds

About 1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole

1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole (PubChem CID 90889111) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole.

Molecular Properties

Compound Name1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole
PubChem CID90889111
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole
SMILESC1=C2CCNC2=NC1
InChIInChI=1S/C6H8N2/c1-3-7-6-5(1)2-4-8-6/h1H,2-4H2,(H,7,8)
InChIKeyMHYUOZHRQHWPMH-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 68344052
5-ethyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 89260422
5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 89270361
2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 90986067
(4Z)-N-ethyl-4-ethylidene-2,3-dihydropyrrol-5-amine;molecular hydrogen
CID 144066620
(4Z)-N-ethyl-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 144066621

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole?
The IUPAC name of 1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole (CID 90889111) is 1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole.
What is the SMILES notation for 1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole?
The canonical SMILES for 1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole is C1=C2CCNC2=NC1.
What is the InChIKey of 1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole?
The InChIKey is MHYUOZHRQHWPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-3-7-6-5(1)2-4-8-6/h1H,2-4H2,(H,7,8).
What are the key properties of 1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole?
1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole has a molecular weight of 108.14 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydropyrrolo[2,3-b]pyrrole is sourced from PubChem (CID 90889111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).