2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C13H15N3O3 — CID 82862746

IUPAC2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C13H15N3O3/c17-11-3-1-9(7-14-11)13(19)15-5-6-16-10(8-15)2-4-12(16)18/h1,3,7,10H,2,4-6,8H2,(H,14,17)
InChIKeyDEBHSOXBGKSOIW-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.18
Rot. Bonds1

About 2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82862746) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82862746
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C13H15N3O3/c17-11-3-1-9(7-14-11)13(19)15-5-6-16-10(8-15)2-4-12(16)18/h1,3,7,10H,2,4-6,8H2,(H,14,17)
InChIKeyDEBHSOXBGKSOIW-UHFFFAOYSA-N
XLogP-0.18
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82862746) is 2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C(c1ccc(=O)[nH]c1)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is DEBHSOXBGKSOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-11-3-1-9(7-14-11)13(19)15-5-6-16-10(8-15)2-4-12(16)18/h1,3,7,10H,2,4-6,8H2,(H,14,17).
What are the key properties of 2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 261.28 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82862746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).