6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione

C15H15N3O3 — CID 82856523

IUPAC6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(N3CCN4C(=O)CCC4C3)ccc2C1=O
InChIInChI=1S/C15H15N3O3/c19-13-4-2-10-8-17(5-6-18(10)13)9-1-3-11-12(7-9)16-15(21)14(11)20/h1,3,7,10H,2,4-6,8H2,(H,16,20,21)
InChIKeySOWXSJOSZRVFSS-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.63
Rot. Bonds1

About 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione

6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione (PubChem CID 82856523) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione
PubChem CID82856523
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(N3CCN4C(=O)CCC4C3)ccc2C1=O
InChIInChI=1S/C15H15N3O3/c19-13-4-2-10-8-17(5-6-18(10)13)9-1-3-11-12(7-9)16-15(21)14(11)20/h1,3,7,10H,2,4-6,8H2,(H,16,20,21)
InChIKeySOWXSJOSZRVFSS-UHFFFAOYSA-N
XLogP0.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione?
The IUPAC name of 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione (CID 82856523) is 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione.
What is the SMILES notation for 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione?
The canonical SMILES for 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione is O=C1Nc2cc(N3CCN4C(=O)CCC4C3)ccc2C1=O.
What is the InChIKey of 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione?
The InChIKey is SOWXSJOSZRVFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-13-4-2-10-8-17(5-6-18(10)13)9-1-3-11-12(7-9)16-15(21)14(11)20/h1,3,7,10H,2,4-6,8H2,(H,16,20,21).
What are the key properties of 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione?
6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione has a molecular weight of 285.30 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-1H-indole-2,3-dione is sourced from PubChem (CID 82856523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).