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

C14H19N3O2 — CID 83131578

IUPAC2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(O)c1ccc(N2CCN3C(=O)CCC3C2)cn1
InChIInChI=1S/C14H19N3O2/c1-10(18)13-4-2-11(8-15-13)16-6-7-17-12(9-16)3-5-14(17)19/h2,4,8,10,12,18H,3,5-7,9H2,1H3
InChIKeyYXGQJGACDJUFPX-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.95
Rot. Bonds2

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

2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 83131578) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID83131578
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(O)c1ccc(N2CCN3C(=O)CCC3C2)cn1
InChIInChI=1S/C14H19N3O2/c1-10(18)13-4-2-11(8-15-13)16-6-7-17-12(9-16)3-5-14(17)19/h2,4,8,10,12,18H,3,5-7,9H2,1H3
InChIKeyYXGQJGACDJUFPX-UHFFFAOYSA-N
XLogP0.95
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 83131578) is 2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CC(O)c1ccc(N2CCN3C(=O)CCC3C2)cn1.
What is the InChIKey of 2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is YXGQJGACDJUFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(18)13-4-2-11(8-15-13)16-6-7-17-12(9-16)3-5-14(17)19/h2,4,8,10,12,18H,3,5-7,9H2,1H3.
What are the key properties of 2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 261.32 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 83131578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).