2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione

C24H24N2O2 — CID 67828418

IUPAC2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESCCN1C(=O)C2=C(c3ccccc3C)N(CC)C(=O)C2=C1c1ccccc1C
InChIInChI=1S/C24H24N2O2/c1-5-25-21(17-13-9-7-11-15(17)3)19-20(23(25)27)22(26(6-2)24(19)28)18-14-10-8-12-16(18)4/h7-14H,5-6H2,1-4H3
InChIKeyWGHVJCWXODPMLW-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.15
Rot. Bonds4

About 2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione

2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione (PubChem CID 67828418) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione.

Molecular Properties

Compound Name2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
PubChem CID67828418
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESCCN1C(=O)C2=C(c3ccccc3C)N(CC)C(=O)C2=C1c1ccccc1C
InChIInChI=1S/C24H24N2O2/c1-5-25-21(17-13-9-7-11-15(17)3)19-20(23(25)27)22(26(6-2)24(19)28)18-14-10-8-12-16(18)4/h7-14H,5-6H2,1-4H3
InChIKeyWGHVJCWXODPMLW-UHFFFAOYSA-N
XLogP4.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The IUPAC name of 2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione (CID 67828418) is 2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione.
What is the SMILES notation for 2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The canonical SMILES for 2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione is CCN1C(=O)C2=C(c3ccccc3C)N(CC)C(=O)C2=C1c1ccccc1C.
What is the InChIKey of 2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The InChIKey is WGHVJCWXODPMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-5-25-21(17-13-9-7-11-15(17)3)19-20(23(25)27)22(26(6-2)24(19)28)18-14-10-8-12-16(18)4/h7-14H,5-6H2,1-4H3.
What are the key properties of 2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione has a molecular weight of 372.47 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione is sourced from PubChem (CID 67828418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).