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

C10H8N2O3 — CID 174941775

IUPAC1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan
SMILESO=C1Nc2cc[nH]c2C1=O.c1ccoc1
InChIInChI=1S/C6H4N2O2.C4H4O/c9-5-4-3(1-2-7-4)8-6(5)10;1-2-4-5-3-1/h1-2,7H,(H,8,9,10);1-4H
InChIKeyWHEAAKQUDJZWSB-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.43
Rot. Bonds

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

1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan (PubChem CID 174941775) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan.

Molecular Properties

Compound Name1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan
PubChem CID174941775
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan
SMILESO=C1Nc2cc[nH]c2C1=O.c1ccoc1
InChIInChI=1S/C6H4N2O2.C4H4O/c9-5-4-3(1-2-7-4)8-6(5)10;1-2-4-5-3-1/h1-2,7H,(H,8,9,10);1-4H
InChIKeyWHEAAKQUDJZWSB-UHFFFAOYSA-N
XLogP1.43
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan 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;furan?
The IUPAC name of 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan (CID 174941775) is 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan.
What is the SMILES notation for 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan?
The canonical SMILES for 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan is O=C1Nc2cc[nH]c2C1=O.c1ccoc1.
What is the InChIKey of 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan?
The InChIKey is WHEAAKQUDJZWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2.C4H4O/c9-5-4-3(1-2-7-4)8-6(5)10;1-2-4-5-3-1/h1-2,7H,(H,8,9,10);1-4H.
What are the key properties of 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan?
1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan has a molecular weight of 204.19 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;furan is sourced from PubChem (CID 174941775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).