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

C7H14N2 — CID 781249

IUPAC(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESC1C[C@H]2CNCCN2C1
InChIInChI=1S/C7H14N2/c1-2-7-6-8-3-5-9(7)4-1/h7-8H,1-6H2/t7-/m0/s1
InChIKeyFTTATHOUSOIFOQ-ZETCQYMHSA-N
MW126.20 g/mol
LogP0.05
Rot. Bonds

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

(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 781249) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID781249
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESC1C[C@H]2CNCCN2C1
InChIInChI=1S/C7H14N2/c1-2-7-6-8-3-5-9(7)4-1/h7-8H,1-6H2/t7-/m0/s1
InChIKeyFTTATHOUSOIFOQ-ZETCQYMHSA-N
XLogP0.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 781249) is (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is C1C[C@H]2CNCCN2C1.
What is the InChIKey of (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is FTTATHOUSOIFOQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-7-6-8-3-5-9(7)4-1/h7-8H,1-6H2/t7-/m0/s1.
What are the key properties of (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
(8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine has a molecular weight of 126.20 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 781249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).