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

C12H16N2O2 — CID 104788033

IUPAC2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1C=C(N2CCN3C(=O)CCC3C2)CC1
InChIInChI=1S/C12H16N2O2/c15-11-3-1-9(7-11)13-5-6-14-10(8-13)2-4-12(14)16/h7,10H,1-6,8H2
InChIKeyYAAOLHJGZASEQK-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.54
Rot. Bonds1

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

2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 104788033) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID104788033
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1C=C(N2CCN3C(=O)CCC3C2)CC1
InChIInChI=1S/C12H16N2O2/c15-11-3-1-9(7-11)13-5-6-14-10(8-13)2-4-12(14)16/h7,10H,1-6,8H2
InChIKeyYAAOLHJGZASEQK-UHFFFAOYSA-N
XLogP0.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 104788033) is 2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C1C=C(N2CCN3C(=O)CCC3C2)CC1.
What is the InChIKey of 2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is YAAOLHJGZASEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11-3-1-9(7-11)13-5-6-14-10(8-13)2-4-12(14)16/h7,10H,1-6,8H2.
What are the key properties of 2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 220.27 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 104788033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).