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

C14H15ClN2O2 — CID 79945107

IUPAC2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCc1ccc(N2CC(=O)N3CCCC3C2=O)cc1Cl
InChIInChI=1S/C14H15ClN2O2/c1-9-4-5-10(7-11(9)15)17-8-13(18)16-6-2-3-12(16)14(17)19/h4-5,7,12H,2-3,6,8H2,1H3
InChIKeyQOSWZZZSRVXZRJ-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.99
Rot. Bonds1

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

2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79945107) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID79945107
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCc1ccc(N2CC(=O)N3CCCC3C2=O)cc1Cl
InChIInChI=1S/C14H15ClN2O2/c1-9-4-5-10(7-11(9)15)17-8-13(18)16-6-2-3-12(16)14(17)19/h4-5,7,12H,2-3,6,8H2,1H3
InChIKeyQOSWZZZSRVXZRJ-UHFFFAOYSA-N
XLogP1.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione with MolForge

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Related Compounds

2-(4-methoxy-3-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944558
2-(2-chloro-5-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 107640187
2-(3-bromo-4-methylphenyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79945137
2-(3-chloro-4-methylphenyl)-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79922775
2-phenyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944954
2-(3-bromo-4-fluorophenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 104781843
2-(3-chloro-4-methylphenyl)-5,6,7,8,9,9a-hexahydroimidazo[1,5-a]azepine-1,3-dione
CID 64564457
2-(3,5-dimethylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929753
2-(2,5-dichlorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929847
2-(4-bromo-3-methylphenyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944757
2-(1-benzothiophen-5-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79924782
2-(2-methylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79930292

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79945107) is 2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is Cc1ccc(N2CC(=O)N3CCCC3C2=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is QOSWZZZSRVXZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-4-5-10(7-11(9)15)17-8-13(18)16-6-2-3-12(16)14(17)19/h4-5,7,12H,2-3,6,8H2,1H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 278.74 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79945107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).