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

C13H24N2O2 — CID 113355030

IUPAC2-(2-ethyl-2-hydroxybutyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCC(O)(CC)CN1CCN2C(=O)CCC2C1
InChIInChI=1S/C13H24N2O2/c1-3-13(17,4-2)10-14-7-8-15-11(9-14)5-6-12(15)16/h11,17H,3-10H2,1-2H3
InChIKeyXNKUEIIEEQGYQT-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.84
Rot. Bonds4

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

2-(2-ethyl-2-hydroxybutyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 113355030) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(2-ethyl-2-hydroxybutyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(2-ethyl-2-hydroxybutyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID113355030
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(2-ethyl-2-hydroxybutyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCC(O)(CC)CN1CCN2C(=O)CCC2C1
InChIInChI=1S/C13H24N2O2/c1-3-13(17,4-2)10-14-7-8-15-11(9-14)5-6-12(15)16/h11,17H,3-10H2,1-2H3
InChIKeyXNKUEIIEEQGYQT-UHFFFAOYSA-N
XLogP0.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2-hydroxybutyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(2-ethyl-2-hydroxybutyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 113355030) is 2-(2-ethyl-2-hydroxybutyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(2-ethyl-2-hydroxybutyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(2-ethyl-2-hydroxybutyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CCC(O)(CC)CN1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-(2-ethyl-2-hydroxybutyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is XNKUEIIEEQGYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-13(17,4-2)10-14-7-8-15-11(9-14)5-6-12(15)16/h11,17H,3-10H2,1-2H3.
What are the key properties of 2-(2-ethyl-2-hydroxybutyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(2-ethyl-2-hydroxybutyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 240.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-hydroxybutyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 113355030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).