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

C16H20N2O2 — CID 82864087

IUPAC2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(C(=O)c1ccccc1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C16H20N2O2/c1-12(16(20)13-5-3-2-4-6-13)17-9-10-18-14(11-17)7-8-15(18)19/h2-6,12,14H,7-11H2,1H3
InChIKeyBWSQXTHDOIFXOU-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.56
Rot. Bonds3

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

2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82864087) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82864087
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(C(=O)c1ccccc1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C16H20N2O2/c1-12(16(20)13-5-3-2-4-6-13)17-9-10-18-14(11-17)7-8-15(18)19/h2-6,12,14H,7-11H2,1H3
InChIKeyBWSQXTHDOIFXOU-UHFFFAOYSA-N
XLogP1.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-oxo-1-phenylbutan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856385
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one
CID 79174234
2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857052
2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one
CID 43227828
2-phenacyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863471
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103498907
2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 102960458
7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096262
2-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one
CID 62031296
methyl 2-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)butanoate
CID 82862867
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 110184706

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82864087) is 2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CC(C(=O)c1ccccc1)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is BWSQXTHDOIFXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(16(20)13-5-3-2-4-6-13)17-9-10-18-14(11-17)7-8-15(18)19/h2-6,12,14H,7-11H2,1H3.
What are the key properties of 2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 272.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82864087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).