2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C15H17ClN2O2 — CID 107640187

IUPAC2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCc1ccc(Cl)c(N2CC(=O)N3CCCCC3C2=O)c1
InChIInChI=1S/C15H17ClN2O2/c1-10-5-6-11(16)13(8-10)18-9-14(19)17-7-3-2-4-12(17)15(18)20/h5-6,8,12H,2-4,7,9H2,1H3
InChIKeyHBIMNXWKJGIUKR-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.38
Rot. Bonds1

About 2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 107640187) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID107640187
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCc1ccc(Cl)c(N2CC(=O)N3CCCCC3C2=O)c1
InChIInChI=1S/C15H17ClN2O2/c1-10-5-6-11(16)13(8-10)18-9-14(19)17-7-3-2-4-12(17)15(18)20/h5-6,8,12H,2-4,7,9H2,1H3
InChIKeyHBIMNXWKJGIUKR-UHFFFAOYSA-N
XLogP2.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione with MolForge

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Related Compounds

2-(2,5-dichlorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929847
2-(2-fluoro-4-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79928985
2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79945107
2-(2-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79930292
2-(3,5-dimethylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929753
2-(4-bromo-2,6-dimethylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79914587
3-bromo-1-(2-chloro-5-methylphenyl)pyrrolidin-2-one
CID 107639729
3-amino-1-(2-chloro-5-methylphenyl)pyrrolidin-2-one
CID 107636311
2-(3-chloro-4-methylphenyl)-5,6,7,8,9,9a-hexahydroimidazo[1,5-a]azepine-1,3-dione
CID 64564457
2-(5-fluoro-2-methylphenyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79916215
2-[(3-methylphenyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929408
2-(2-chlorophenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 43402856

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 107640187) is 2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is Cc1ccc(Cl)c(N2CC(=O)N3CCCCC3C2=O)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is HBIMNXWKJGIUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10-5-6-11(16)13(8-10)18-9-14(19)17-7-3-2-4-12(17)15(18)20/h5-6,8,12H,2-4,7,9H2,1H3.
What are the key properties of 2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 292.77 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 107640187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).