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

C15H25N3O2 — CID 106975677

IUPAC2-(2-propylpyrrolidine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCCC1(C(=O)N2CCN3C(=O)CCC3C2)CCCN1
InChIInChI=1S/C15H25N3O2/c1-2-6-15(7-3-8-16-15)14(20)17-9-10-18-12(11-17)4-5-13(18)19/h12,16H,2-11H2,1H3
InChIKeyXWIVZAABDWZRIK-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.74
Rot. Bonds3

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

2-(2-propylpyrrolidine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 106975677) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(2-propylpyrrolidine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(2-propylpyrrolidine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID106975677
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(2-propylpyrrolidine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCCC1(C(=O)N2CCN3C(=O)CCC3C2)CCCN1
InChIInChI=1S/C15H25N3O2/c1-2-6-15(7-3-8-16-15)14(20)17-9-10-18-12(11-17)4-5-13(18)19/h12,16H,2-11H2,1H3
InChIKeyXWIVZAABDWZRIK-UHFFFAOYSA-N
XLogP0.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-propylpyrrolidine-2-carbonyl)-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-propylpyrrolidine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(2-propylpyrrolidine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 106975677) is 2-(2-propylpyrrolidine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(2-propylpyrrolidine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(2-propylpyrrolidine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CCCC1(C(=O)N2CCN3C(=O)CCC3C2)CCCN1.
What is the InChIKey of 2-(2-propylpyrrolidine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is XWIVZAABDWZRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-6-15(7-3-8-16-15)14(20)17-9-10-18-12(11-17)4-5-13(18)19/h12,16H,2-11H2,1H3.
What are the key properties of 2-(2-propylpyrrolidine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(2-propylpyrrolidine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 279.38 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylpyrrolidine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 106975677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).