(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride

C7H16Cl2N2 — CID 44828674

IUPAC(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride
SMILESC1C[C@@H]2CNCCN2C1.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-2-7-6-8-3-5-9(7)4-1;;/h7-8H,1-6H2;2*1H/t7-;;/m1../s1
InChIKeyJHDWGEOMYLXPIY-XCUBXKJBSA-N
MW199.12 g/mol
LogP0.90
Rot. Bonds

About (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride

(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride (PubChem CID 44828674) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride.

Molecular Properties

Compound Name(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride
PubChem CID44828674
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Name(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride
SMILESC1C[C@@H]2CNCCN2C1.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-2-7-6-8-3-5-9(7)4-1;;/h7-8H,1-6H2;2*1H/t7-;;/m1../s1
InChIKeyJHDWGEOMYLXPIY-XCUBXKJBSA-N
XLogP0.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride?
The IUPAC name of (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride (CID 44828674) is (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride.
What is the SMILES notation for (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride?
The canonical SMILES for (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride is C1C[C@@H]2CNCCN2C1.Cl.Cl.
What is the InChIKey of (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride?
The InChIKey is JHDWGEOMYLXPIY-XCUBXKJBSA-N. The full InChI is InChI=1S/C7H14N2.2ClH/c1-2-7-6-8-3-5-9(7)4-1;;/h7-8H,1-6H2;2*1H/t7-;;/m1../s1.
What are the key properties of (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride?
(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride has a molecular weight of 199.12 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride is sourced from PubChem (CID 44828674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).