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

C14H18N2O2 — CID 82983386

IUPAC2-[(3-hydroxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(Cc3cccc(O)c3)CCN12
InChIInChI=1S/C14H18N2O2/c17-13-3-1-2-11(8-13)9-15-6-7-16-12(10-15)4-5-14(16)18/h1-3,8,12,17H,4-7,9-10H2
InChIKeyBKTOHOIEDUPUAD-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.20
Rot. Bonds2

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

2-[(3-hydroxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82983386) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82983386
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[(3-hydroxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(Cc3cccc(O)c3)CCN12
InChIInChI=1S/C14H18N2O2/c17-13-3-1-2-11(8-13)9-15-6-7-16-12(10-15)4-5-14(16)18/h1-3,8,12,17H,4-7,9-10H2
InChIKeyBKTOHOIEDUPUAD-UHFFFAOYSA-N
XLogP1.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[(3-hydroxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82983386) is 2-[(3-hydroxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[(3-hydroxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C1CCC2CN(Cc3cccc(O)c3)CCN12.
What is the InChIKey of 2-[(3-hydroxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is BKTOHOIEDUPUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13-3-1-2-11(8-13)9-15-6-7-16-12(10-15)4-5-14(16)18/h1-3,8,12,17H,4-7,9-10H2.
What are the key properties of 2-[(3-hydroxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[(3-hydroxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 246.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82983386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).