1H-pyrrolo[3,4-b]pyrrole-4,6-dione

C6H4N2O2 — CID 18442732

IUPAC1H-pyrrolo[3,4-b]pyrrole-4,6-dione
SMILESO=C1NC(=O)c2[nH]ccc21
InChIInChI=1S/C6H4N2O2/c9-5-3-1-2-7-4(3)6(10)8-5/h1-2,7H,(H,8,9,10)
InChIKeyTVIWRNMTKUCHTA-UHFFFAOYSA-N
MW136.11 g/mol
LogP-0.10
Rot. Bonds

About 1H-pyrrolo[3,4-b]pyrrole-4,6-dione

1H-pyrrolo[3,4-b]pyrrole-4,6-dione (PubChem CID 18442732) has the molecular formula C6H4N2O2 and a molecular weight of 136.11 g/mol. Its IUPAC name is 1H-pyrrolo[3,4-b]pyrrole-4,6-dione.

Molecular Properties

Compound Name1H-pyrrolo[3,4-b]pyrrole-4,6-dione
PubChem CID18442732
Molecular FormulaC6H4N2O2
Molecular Weight136.11 g/mol
Exact Mass136.03
IUPAC Name1H-pyrrolo[3,4-b]pyrrole-4,6-dione
SMILESO=C1NC(=O)c2[nH]ccc21
InChIInChI=1S/C6H4N2O2/c9-5-3-1-2-7-4(3)6(10)8-5/h1-2,7H,(H,8,9,10)
InChIKeyTVIWRNMTKUCHTA-UHFFFAOYSA-N
XLogP-0.10
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[3,4-b]pyrrole-4,6-dione?
The IUPAC name of 1H-pyrrolo[3,4-b]pyrrole-4,6-dione (CID 18442732) is 1H-pyrrolo[3,4-b]pyrrole-4,6-dione.
What is the SMILES notation for 1H-pyrrolo[3,4-b]pyrrole-4,6-dione?
The canonical SMILES for 1H-pyrrolo[3,4-b]pyrrole-4,6-dione is O=C1NC(=O)c2[nH]ccc21.
What is the InChIKey of 1H-pyrrolo[3,4-b]pyrrole-4,6-dione?
The InChIKey is TVIWRNMTKUCHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2/c9-5-3-1-2-7-4(3)6(10)8-5/h1-2,7H,(H,8,9,10).
What are the key properties of 1H-pyrrolo[3,4-b]pyrrole-4,6-dione?
1H-pyrrolo[3,4-b]pyrrole-4,6-dione has a molecular weight of 136.11 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[3,4-b]pyrrole-4,6-dione is sourced from PubChem (CID 18442732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).