2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C15H16Br2N2O2 — CID 107604082

IUPAC2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC1C(=O)N2CCCCC2C(=O)N1c1c(Br)cccc1Br
InChIInChI=1S/C15H16Br2N2O2/c1-9-14(20)18-8-3-2-7-12(18)15(21)19(9)13-10(16)5-4-6-11(13)17/h4-6,9,12H,2-3,7-8H2,1H3
InChIKeyFINXUIQNGSVVHL-UHFFFAOYSA-N
MW416.11 g/mol
LogP3.33
Rot. Bonds1

About 2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 107604082) has the molecular formula C15H16Br2N2O2 and a molecular weight of 416.11 g/mol. Its IUPAC name is 2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID107604082
Molecular FormulaC15H16Br2N2O2
Molecular Weight416.11 g/mol
Exact Mass413.96
IUPAC Name2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC1C(=O)N2CCCCC2C(=O)N1c1c(Br)cccc1Br
InChIInChI=1S/C15H16Br2N2O2/c1-9-14(20)18-8-3-2-7-12(18)15(21)19(9)13-10(16)5-4-6-11(13)17/h4-6,9,12H,2-3,7-8H2,1H3
InChIKeyFINXUIQNGSVVHL-UHFFFAOYSA-N
XLogP3.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.11
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 107604082) is 2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CC1C(=O)N2CCCCC2C(=O)N1c1c(Br)cccc1Br.
What is the InChIKey of 2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is FINXUIQNGSVVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2O2/c1-9-14(20)18-8-3-2-7-12(18)15(21)19(9)13-10(16)5-4-6-11(13)17/h4-6,9,12H,2-3,7-8H2,1H3.
What are the key properties of 2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 416.11 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 107604082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).