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

C6H11BrN2 — CID 146447918

IUPAC1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide
SMILESBr.C1=C2CNCC2CN1
InChIInChI=1S/C6H10N2.BrH/c1-5-2-8-4-6(5)3-7-1;/h1,6-8H,2-4H2;1H
InChIKeyDQPJJYJMYWOCGU-UHFFFAOYSA-N
MW191.07 g/mol
LogP0.27
Rot. Bonds

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

1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide (PubChem CID 146447918) has the molecular formula C6H11BrN2 and a molecular weight of 191.07 g/mol. Its IUPAC name is 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide.

Molecular Properties

Compound Name1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide
PubChem CID146447918
Molecular FormulaC6H11BrN2
Molecular Weight191.07 g/mol
Exact Mass190.01
IUPAC Name1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide
SMILESBr.C1=C2CNCC2CN1
InChIInChI=1S/C6H10N2.BrH/c1-5-2-8-4-6(5)3-7-1;/h1,6-8H,2-4H2;1H
InChIKeyDQPJJYJMYWOCGU-UHFFFAOYSA-N
XLogP0.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydropyrrolo[3,4-c]pyrrole
CID 55286762
1,2,3,3a,4,5-Hexahydropyrrolo[2,3-c]pyrrole
CID 66696949
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
(E)-pyrrolidin-3-ylidenemethanamine
CID 68260963
1,2,3,5,6,6a-Hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide
CID 68756863
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
4-Methyl-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 153884643
(3aR)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole
CID 175705632
(3aS)-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole
CID 175705639
(6aR)-1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 175705640

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide?
The IUPAC name of 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide (CID 146447918) is 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide.
What is the SMILES notation for 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide?
The canonical SMILES for 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide is Br.C1=C2CNCC2CN1.
What is the InChIKey of 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide?
The InChIKey is DQPJJYJMYWOCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.BrH/c1-5-2-8-4-6(5)3-7-1;/h1,6-8H,2-4H2;1H.
What are the key properties of 1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide?
1,2,3,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide has a molecular weight of 191.07 g/mol, XLogP of 0.27, 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;hydrobromide is sourced from PubChem (CID 146447918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).