3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione

C14H12N2O2 — CID 54671863

IUPAC3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)n2cccc21
InChIInChI=1S/C14H12N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,15,17)
InChIKeyZNBKJUMIPBZJER-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.48
Rot. Bonds2

About 3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione

3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 54671863) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID54671863
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)n2cccc21
InChIInChI=1S/C14H12N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,15,17)
InChIKeyZNBKJUMIPBZJER-UHFFFAOYSA-N
XLogP1.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10855003
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CID 43402824
2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one
CID 70148576
3-benzyl-1-cyclobutylpiperazine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione (CID 54671863) is 3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione is O=C1NC(Cc2ccccc2)C(=O)n2cccc21.
What is the InChIKey of 3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is ZNBKJUMIPBZJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,15,17).
What are the key properties of 3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione?
3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 240.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 54671863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).