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

C16H23N3O — CID 82857052

IUPAC2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(N)C(c1ccccc1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C16H23N3O/c1-12(17)16(13-5-3-2-4-6-13)18-9-10-19-14(11-18)7-8-15(19)20/h2-6,12,14,16H,7-11,17H2,1H3
InChIKeyPCQZHHQCIUDXDF-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.38
Rot. Bonds3

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

2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82857052) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82857052
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(N)C(c1ccccc1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C16H23N3O/c1-12(17)16(13-5-3-2-4-6-13)18-9-10-19-14(11-18)7-8-15(19)20/h2-6,12,14,16H,7-11,17H2,1H3
InChIKeyPCQZHHQCIUDXDF-UHFFFAOYSA-N
XLogP1.38
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

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Related Compounds

2-[2-amino-1-(3-bromophenyl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857252
2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82864087
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-phenylpropan-2-amine
CID 79940901
2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862657
2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855504
2-(1-oxo-1-phenylbutan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856385
1-(2-amino-1-phenylpropyl)piperidin-3-ol
CID 55017645
1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine
CID 103530869
7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095701
2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine
CID 61226976
methyl 2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)butanoate
CID 82862867
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine
CID 115559024

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82857052) is 2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CC(N)C(c1ccccc1)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is PCQZHHQCIUDXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(17)16(13-5-3-2-4-6-13)18-9-10-19-14(11-18)7-8-15(19)20/h2-6,12,14,16H,7-11,17H2,1H3.
What are the key properties of 2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 273.38 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82857052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).