1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide

C6H12Br2N2 — CID 68756863

IUPAC1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide
SMILESBr.Br.C1=C2CNCC2CN1
InChIInChI=1S/C6H10N2.2BrH/c1-5-2-8-4-6(5)3-7-1;;/h1,6-8H,2-4H2;2*1H
InChIKeySNQMPNRZZJTEBF-UHFFFAOYSA-N
MW271.98 g/mol
LogP0.85
Rot. Bonds

About 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide

1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide (PubChem CID 68756863) has the molecular formula C6H12Br2N2 and a molecular weight of 271.98 g/mol. Its IUPAC name is 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide.

Molecular Properties

Compound Name1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide
PubChem CID68756863
Molecular FormulaC6H12Br2N2
Molecular Weight271.98 g/mol
Exact Mass269.94
IUPAC Name1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide
SMILESBr.Br.C1=C2CNCC2CN1
InChIInChI=1S/C6H10N2.2BrH/c1-5-2-8-4-6(5)3-7-1;;/h1,6-8H,2-4H2;2*1H
InChIKeySNQMPNRZZJTEBF-UHFFFAOYSA-N
XLogP0.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.98
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydropyrrolo[3,4-c]pyrrole
CID 55286762
5-methyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66698029
5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 67771186
5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 124156506
(6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 143492539
1,2,3,5,6,6a-Hexahydropyrrolo[3,4-c]pyrrole;hydrobromide
CID 146447918
(6aR)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 175705640
(6aS)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 175818180
1,2,4,5,6,6a-Hexahydropyrrolo[3,4-c]pyrrol-4-amine
CID 175930748
4-Deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 175961513
(6aR)-4-deuterio-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 176031785

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide?
The IUPAC name of 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide (CID 68756863) is 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide.
What is the SMILES notation for 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide?
The canonical SMILES for 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide is Br.Br.C1=C2CNCC2CN1.
What is the InChIKey of 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide?
The InChIKey is SNQMPNRZZJTEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.2BrH/c1-5-2-8-4-6(5)3-7-1;;/h1,6-8H,2-4H2;2*1H.
What are the key properties of 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide?
1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide has a molecular weight of 271.98 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide is sourced from PubChem (CID 68756863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).