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

C13H15N3O3 — CID 82863356

IUPAC2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C(c1ncccc1O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C13H15N3O3/c17-10-2-1-5-14-12(10)13(19)15-6-7-16-9(8-15)3-4-11(16)18/h1-2,5,9,17H,3-4,6-8H2
InChIKeySAYKLESVWOSWGA-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.23
Rot. Bonds1

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

2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82863356) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82863356
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C(c1ncccc1O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C13H15N3O3/c17-10-2-1-5-14-12(10)13(19)15-6-7-16-9(8-15)3-4-11(16)18/h1-2,5,9,17H,3-4,6-8H2
InChIKeySAYKLESVWOSWGA-UHFFFAOYSA-N
XLogP0.23
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82863356) is 2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C(c1ncccc1O)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is SAYKLESVWOSWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-10-2-1-5-14-12(10)13(19)15-6-7-16-9(8-15)3-4-11(16)18/h1-2,5,9,17H,3-4,6-8H2.
What are the key properties of 2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(3-hydroxypyridine-2-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 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82863356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).