2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C15H17BrN2O2 — CID 107640178

IUPAC2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCc1c(Br)cccc1N1C(=O)C2CCCN2C(=O)C1C
InChIInChI=1S/C15H17BrN2O2/c1-9-11(16)5-3-6-12(9)18-10(2)14(19)17-8-4-7-13(17)15(18)20/h3,5-6,10,13H,4,7-8H2,1-2H3
InChIKeyXRDSFPMESWELMQ-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.48
Rot. Bonds1

About 2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 107640178) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID107640178
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCc1c(Br)cccc1N1C(=O)C2CCCN2C(=O)C1C
InChIInChI=1S/C15H17BrN2O2/c1-9-11(16)5-3-6-12(9)18-10(2)14(19)17-8-4-7-13(17)15(18)20/h3,5-6,10,13H,4,7-8H2,1-2H3
InChIKeyXRDSFPMESWELMQ-UHFFFAOYSA-N
XLogP2.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dibromophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 107604082
2-(2,3-dichlorophenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944472
2-(2-chlorophenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944967
3-methyl-2-(2-methylsulfanylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 107646592
3-methyl-2-(2-methyl-3-pyridinyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932394
2-(2,4-dichlorophenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944613
2-(4-bromo-3-methoxyphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 82859125
2-(4-chlorophenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944755
2-(2-chloro-5-fluorophenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 107531654
2-(2-fluoro-4-methylphenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79916660
3-methyl-2-(4-methylsulfanylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944826
3-bromo-1-(3-bromo-2-methylphenyl)pyrrolidin-2-one
CID 107639727

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 107640178) is 2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is Cc1c(Br)cccc1N1C(=O)C2CCCN2C(=O)C1C.
What is the InChIKey of 2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is XRDSFPMESWELMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9-11(16)5-3-6-12(9)18-10(2)14(19)17-8-4-7-13(17)15(18)20/h3,5-6,10,13H,4,7-8H2,1-2H3.
What are the key properties of 2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 337.22 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylphenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 107640178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).