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

C15H19N3O3 — CID 128559204

IUPAC2-(2-pyridin-2-yloxypropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(Oc1ccccn1)C(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C15H19N3O3/c1-11(21-13-4-2-3-7-16-13)15(20)17-8-9-18-12(10-17)5-6-14(18)19/h2-4,7,11-12H,5-6,8-10H2,1H3
InChIKeyCQGSXRZSGNQOCQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.68
Rot. Bonds3

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

2-(2-pyridin-2-yloxypropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 128559204) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(2-pyridin-2-yloxypropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(2-pyridin-2-yloxypropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID128559204
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-(2-pyridin-2-yloxypropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(Oc1ccccn1)C(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C15H19N3O3/c1-11(21-13-4-2-3-7-16-13)15(20)17-8-9-18-12(10-17)5-6-14(18)19/h2-4,7,11-12H,5-6,8-10H2,1H3
InChIKeyCQGSXRZSGNQOCQ-UHFFFAOYSA-N
XLogP0.68
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-pyridin-2-yloxypropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yloxypropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(2-pyridin-2-yloxypropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 128559204) is 2-(2-pyridin-2-yloxypropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(2-pyridin-2-yloxypropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(2-pyridin-2-yloxypropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CC(Oc1ccccn1)C(=O)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-(2-pyridin-2-yloxypropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is CQGSXRZSGNQOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(21-13-4-2-3-7-16-13)15(20)17-8-9-18-12(10-17)5-6-14(18)19/h2-4,7,11-12H,5-6,8-10H2,1H3.
What are the key properties of 2-(2-pyridin-2-yloxypropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(2-pyridin-2-yloxypropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 289.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yloxypropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 128559204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).