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

C15H18N2O3 — CID 79944558

IUPAC2-(4-methoxy-3-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCOc1ccc(N2CC(=O)N3CCCC3C2=O)cc1C
InChIInChI=1S/C15H18N2O3/c1-10-8-11(5-6-13(10)20-2)17-9-14(18)16-7-3-4-12(16)15(17)19/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKeyHGVCBTXESAIHJZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.34
Rot. Bonds2

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

2-(4-methoxy-3-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79944558) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID79944558
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(4-methoxy-3-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCOc1ccc(N2CC(=O)N3CCCC3C2=O)cc1C
InChIInChI=1S/C15H18N2O3/c1-10-8-11(5-6-13(10)20-2)17-9-14(18)16-7-3-4-12(16)15(17)19/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKeyHGVCBTXESAIHJZ-UHFFFAOYSA-N
XLogP1.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79944558) is 2-(4-methoxy-3-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is COc1ccc(N2CC(=O)N3CCCC3C2=O)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is HGVCBTXESAIHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-8-11(5-6-13(10)20-2)17-9-14(18)16-7-3-4-12(16)15(17)19/h5-6,8,12H,3-4,7,9H2,1-2H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-(4-methoxy-3-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 274.32 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79944558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).