2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one

C14H18N2O — CID 15665472

IUPAC2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one
SMILESO=C1CC2CN(Cc3ccccc3)CCN2C1
InChIInChI=1S/C14H18N2O/c17-14-8-13-10-15(6-7-16(13)11-14)9-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyZPTXWXVQWSAOBA-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.15
Rot. Bonds2

About 2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one

2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one (PubChem CID 15665472) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one.

Molecular Properties

Compound Name2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one
PubChem CID15665472
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one
SMILESO=C1CC2CN(Cc3ccccc3)CCN2C1
InChIInChI=1S/C14H18N2O/c17-14-8-13-10-15(6-7-16(13)11-14)9-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyZPTXWXVQWSAOBA-UHFFFAOYSA-N
XLogP1.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 69195043
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024
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CID 160853215
tert-butyl 8-benzyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxylate
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(9S)-7-benzyl-3,7,18-triazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),12,14,16-tetraene
CID 73057583
2-benzyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-8-thiol
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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one?
The IUPAC name of 2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one (CID 15665472) is 2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one.
What is the SMILES notation for 2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one?
The canonical SMILES for 2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one is O=C1CC2CN(Cc3ccccc3)CCN2C1.
What is the InChIKey of 2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one?
The InChIKey is ZPTXWXVQWSAOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14-8-13-10-15(6-7-16(13)11-14)9-12-4-2-1-3-5-12/h1-5,13H,6-11H2.
What are the key properties of 2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one?
2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one has a molecular weight of 230.31 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one is sourced from PubChem (CID 15665472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).