2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione

C6H6N2O2 — CID 67147391

IUPAC2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
SMILESO=C1NC(=O)C2CNC=C12
InChIInChI=1S/C6H6N2O2/c9-5-3-1-7-2-4(3)6(10)8-5/h1,4,7H,2H2,(H,8,9,10)
InChIKeyPYSMFVQYAONVHY-UHFFFAOYSA-N
MW138.13 g/mol
LogP-1.25
Rot. Bonds

About 2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione

2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione (PubChem CID 67147391) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
PubChem CID67147391
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
SMILESO=C1NC(=O)C2CNC=C12
InChIInChI=1S/C6H6N2O2/c9-5-3-1-7-2-4(3)6(10)8-5/h1,4,7H,2H2,(H,8,9,10)
InChIKeyPYSMFVQYAONVHY-UHFFFAOYSA-N
XLogP-1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione (CID 67147391) is 2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione is O=C1NC(=O)C2CNC=C12.
What is the InChIKey of 2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The InChIKey is PYSMFVQYAONVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-5-3-1-7-2-4(3)6(10)8-5/h1,4,7H,2H2,(H,8,9,10).
What are the key properties of 2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione has a molecular weight of 138.13 g/mol, XLogP of -1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 67147391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).