(8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C16H24N4O2 — CID 170547609

IUPAC(8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1CCCN1CC12CC(N3C[C@@H]4CNCCN4C3=O)(C1)C2
InChIInChI=1S/C16H24N4O2/c21-13-2-1-4-18(13)11-15-8-16(9-15,10-15)20-7-12-6-17-3-5-19(12)14(20)22/h12,17H,1-11H2/t12-,15?,16?/m0/s1
InChIKeyBAUYUSWWHZTIIU-JQRITLKVSA-N
MW304.39 g/mol
LogP0.24
Rot. Bonds3

About (8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 170547609) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID170547609
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1CCCN1CC12CC(N3C[C@@H]4CNCCN4C3=O)(C1)C2
InChIInChI=1S/C16H24N4O2/c21-13-2-1-4-18(13)11-15-8-16(9-15,10-15)20-7-12-6-17-3-5-19(12)14(20)22/h12,17H,1-11H2/t12-,15?,16?/m0/s1
InChIKeyBAUYUSWWHZTIIU-JQRITLKVSA-N
XLogP0.24
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

N-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
CID 174203136
4-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)cubane-1-carboxylic acid
CID 174200387
4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]cubane-1-carboxylic acid
CID 164873299
2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092085
2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
CID 86811793
(8aS)-2-(4-hydroxy-3,3-dimethylbutyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 137382689
2-pentyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091777
1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 21018603
2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 54775508
2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 106729433
2-[2-(2-hydroxyethoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091374
2-[(4-ethylphenyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092227

Frequently Asked Questions

What is the IUPAC name of (8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 170547609) is (8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1CCCN1CC12CC(N3C[C@@H]4CNCCN4C3=O)(C1)C2.
What is the InChIKey of (8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is BAUYUSWWHZTIIU-JQRITLKVSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-13-2-1-4-18(13)11-15-8-16(9-15,10-15)20-7-12-6-17-3-5-19(12)14(20)22/h12,17H,1-11H2/t12-,15?,16?/m0/s1.
What are the key properties of (8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 304.39 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 170547609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).