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

C7H15ClN2 — CID 71607215

IUPAC(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride
SMILESC1C[C@@H]2CNCCN2C1.Cl
InChIInChI=1S/C7H14N2.ClH/c1-2-7-6-8-3-5-9(7)4-1;/h7-8H,1-6H2;1H/t7-;/m1./s1
InChIKeyUMFVXZFBUOWRIS-OGFXRTJISA-N
MW162.66 g/mol
LogP0.48
Rot. Bonds

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

(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride (PubChem CID 71607215) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride
PubChem CID71607215
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride
SMILESC1C[C@@H]2CNCCN2C1.Cl
InChIInChI=1S/C7H14N2.ClH/c1-2-7-6-8-3-5-9(7)4-1;/h7-8H,1-6H2;1H/t7-;/m1./s1
InChIKeyUMFVXZFBUOWRIS-OGFXRTJISA-N
XLogP0.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 50.48
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;hydrochloride?
The IUPAC name of (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride (CID 71607215) is (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride.
What is the SMILES notation for (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride?
The canonical SMILES for (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride is C1C[C@@H]2CNCCN2C1.Cl.
What is the InChIKey of (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride?
The InChIKey is UMFVXZFBUOWRIS-OGFXRTJISA-N. The full InChI is InChI=1S/C7H14N2.ClH/c1-2-7-6-8-3-5-9(7)4-1;/h7-8H,1-6H2;1H/t7-;/m1./s1.
What are the key properties of (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride?
(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride has a molecular weight of 162.66 g/mol, XLogP of 0.48, 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;hydrochloride is sourced from PubChem (CID 71607215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).