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

C12H20N2O2 — CID 82862839

IUPAC2-(2-hydroxycyclopentyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(C3CCCC3O)CCN12
InChIInChI=1S/C12H20N2O2/c15-11-3-1-2-10(11)13-6-7-14-9(8-13)4-5-12(14)16/h9-11,15H,1-8H2
InChIKeyOEBIUXXLFMWJRK-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.21
Rot. Bonds1

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

2-(2-hydroxycyclopentyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82862839) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(2-hydroxycyclopentyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(2-hydroxycyclopentyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82862839
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(2-hydroxycyclopentyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(C3CCCC3O)CCN12
InChIInChI=1S/C12H20N2O2/c15-11-3-1-2-10(11)13-6-7-14-9(8-13)4-5-12(14)16/h9-11,15H,1-8H2
InChIKeyOEBIUXXLFMWJRK-UHFFFAOYSA-N
XLogP0.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862742
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol
CID 63151120
(8aS)-2-[(1R,3R)-3-aminocyclopentyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 99962875
(9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 102280583
N-cyclopentyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 115870401
2-acetyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 58166183
2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 104788033
1-[(1R,2R)-2-hydroxycyclopentyl]piperidin-4-ol
CID 102734322
1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one
CID 86594081
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
(3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol
CID 115278432
trans-(1R,2R)-2-(3-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 102734436

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclopentyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(2-hydroxycyclopentyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82862839) is 2-(2-hydroxycyclopentyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(2-hydroxycyclopentyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(2-hydroxycyclopentyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C1CCC2CN(C3CCCC3O)CCN12.
What is the InChIKey of 2-(2-hydroxycyclopentyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is OEBIUXXLFMWJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11-3-1-2-10(11)13-6-7-14-9(8-13)4-5-12(14)16/h9-11,15H,1-8H2.
What are the key properties of 2-(2-hydroxycyclopentyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(2-hydroxycyclopentyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 224.30 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclopentyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82862839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).