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

C6H11BrN2 — CID 146013756

IUPAC1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide
SMILESBr.C1NCC2=C1CNC2
InChIInChI=1S/C6H10N2.BrH/c1-5-2-8-4-6(5)3-7-1;/h7-8H,1-4H2;1H
InChIKeyNBVYWBXNJPNLJC-UHFFFAOYSA-N
MW191.07 g/mol
LogP0.07
Rot. Bonds

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

1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide (PubChem CID 146013756) has the molecular formula C6H11BrN2 and a molecular weight of 191.07 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide.

Molecular Properties

Compound Name1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide
PubChem CID146013756
Molecular FormulaC6H11BrN2
Molecular Weight191.07 g/mol
Exact Mass190.01
IUPAC Name1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide
SMILESBr.C1NCC2=C1CNC2
InChIInChI=1S/C6H10N2.BrH/c1-5-2-8-4-6(5)3-7-1;/h7-8H,1-4H2;1H
InChIKeyNBVYWBXNJPNLJC-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide?
The IUPAC name of 1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide (CID 146013756) is 1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide.
What is the SMILES notation for 1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide?
The canonical SMILES for 1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide is Br.C1NCC2=C1CNC2.
What is the InChIKey of 1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide?
The InChIKey is NBVYWBXNJPNLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.BrH/c1-5-2-8-4-6(5)3-7-1;/h7-8H,1-4H2;1H.
What are the key properties of 1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide?
1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide has a molecular weight of 191.07 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide is sourced from PubChem (CID 146013756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).