1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid

C8H14N2O2 — CID 23293721

IUPAC1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
SMILESO=C(O)C1CCC2CNCCN21
InChIInChI=1S/C8H14N2O2/c11-8(12)7-2-1-6-5-9-3-4-10(6)7/h6-7,9H,1-5H2,(H,11,12)
InChIKeyOQFCRRWLENJJCB-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.49
Rot. Bonds1

About 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid

1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid (PubChem CID 23293721) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
PubChem CID23293721
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
SMILESO=C(O)C1CCC2CNCCN21
InChIInChI=1S/C8H14N2O2/c11-8(12)7-2-1-6-5-9-3-4-10(6)7/h6-7,9H,1-5H2,(H,11,12)
InChIKeyOQFCRRWLENJJCB-UHFFFAOYSA-N
XLogP-0.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?
The IUPAC name of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid (CID 23293721) is 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid.
What is the SMILES notation for 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?
The canonical SMILES for 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid is O=C(O)C1CCC2CNCCN21.
What is the InChIKey of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?
The InChIKey is OQFCRRWLENJJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-8(12)7-2-1-6-5-9-3-4-10(6)7/h6-7,9H,1-5H2,(H,11,12).
What are the key properties of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid is sourced from PubChem (CID 23293721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).