1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene

C26H16N2O2 — CID 175275519

IUPAC1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene
SMILESO=C1Nc2cc[nH]c2C1=O.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C6H4N2O2/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;9-5-4-3(1-2-7-4)8-6(5)10/h1-12H;1-2,7H,(H,8,9,10)
InChIKeyKGWIJXLFNBTVKN-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.89
Rot. Bonds

About 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene

1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene (PubChem CID 175275519) has the molecular formula C26H16N2O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene.

Molecular Properties

Compound Name1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene
PubChem CID175275519
Molecular FormulaC26H16N2O2
Molecular Weight388.43 g/mol
Exact Mass388.12
IUPAC Name1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene
SMILESO=C1Nc2cc[nH]c2C1=O.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C6H4N2O2/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;9-5-4-3(1-2-7-4)8-6(5)10/h1-12H;1-2,7H,(H,8,9,10)
InChIKeyKGWIJXLFNBTVKN-UHFFFAOYSA-N
XLogP5.89
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene?
The IUPAC name of 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene (CID 175275519) is 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene.
What is the SMILES notation for 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene?
The canonical SMILES for 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene is O=C1Nc2cc[nH]c2C1=O.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.
What is the InChIKey of 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene?
The InChIKey is KGWIJXLFNBTVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C6H4N2O2/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;9-5-4-3(1-2-7-4)8-6(5)10/h1-12H;1-2,7H,(H,8,9,10).
What are the key properties of 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene?
1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene has a molecular weight of 388.43 g/mol, XLogP of 5.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;perylene is sourced from PubChem (CID 175275519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).