5,6-dihydropyrrolo[3,4-b]pyrrol-4(1H)-one
Basic information
- Standard SMILES
O=C1NCc2[nH]ccc21- InChIKey
JYRGTESFRPQNFN-UHFFFAOYSA-N- Molecular formula
- C6H6N2O
- Average molar mass
- 122.12 g/mol
- Monoisotopic mass
- 122.04801282
Names & identifiers
- Preferred name
- 5,6-dihydropyrrolo[3,4-b]pyrrol-4(1H)-one
- IUPAC
- 5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
Names & synonyms
5,6-dihydropyrrolo[3,4-b]pyrrol-4(1H)-one1453798-19-0SCHEMBL5320283JYRGTESFRPQNFN-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 69403530
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 146
Related reactions
3 records
Compound notes
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