2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione

C20H16N2O2 — CID 12958495

IUPAC2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione
SMILESO=C1c2cn(Cc3ccccc3)cc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H16N2O2/c23-19-17-13-21(11-15-7-3-1-4-8-15)14-18(17)20(24)22(19)12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKeyYHCFXJICOHZABL-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.33
Rot. Bonds4

About 2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione

2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione (PubChem CID 12958495) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione
PubChem CID12958495
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione
SMILESO=C1c2cn(Cc3ccccc3)cc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H16N2O2/c23-19-17-13-21(11-15-7-3-1-4-8-15)14-18(17)20(24)22(19)12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKeyYHCFXJICOHZABL-UHFFFAOYSA-N
XLogP3.33
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
2-benzyl-5,6-dimethoxyisoindole-1,3-dione
CID 91665603
2-benzyl-1,3-dioxoisoindole-5-carboxylic acid
CID 748193
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
sodium 1-benzyl-4-formyl-2,5-dioxopyrrol-3-olate
CID 132577433
CID 89305707
CID 89305707
2-[(4-propylphenyl)methyl]isoindole-1,3-dione
CID 118513791
2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione
CID 70096354
2-[(4-methylphenyl)methyl]isoquinoline-1,3,4-trione
CID 177415175
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
4-[(1,3,4-trioxoisoquinolin-2-yl)methyl]benzonitrile
CID 177481598
2-[[3-[2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]hydrazinyl]phenyl]methyl]isoindole-1,3-dione
CID 167064144

Frequently Asked Questions

What is the IUPAC name of 2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione (CID 12958495) is 2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione is O=C1c2cn(Cc3ccccc3)cc2C(=O)N1Cc1ccccc1.
What is the InChIKey of 2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione?
The InChIKey is YHCFXJICOHZABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-19-17-13-21(11-15-7-3-1-4-8-15)14-18(17)20(24)22(19)12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2.
What are the key properties of 2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione?
2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione has a molecular weight of 316.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 12958495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).