Basic information
- Standard SMILES
O=C1OC(c2cc[nH]c2)c2ccccc21- InChIKey
QOGXHXLRMMZEDU-UHFFFAOYSA-N- Molecular formula
- C12H9NO2
- Average molar mass
- 199.2 g/mol
- Monoisotopic mass
- 199.06332853
Names & identifiers
- Preferred name
- 3-Phthalidylpyrrole
- IUPAC
- 3-(1H-pyrrol-3-yl)-3H-2-benzofuran-1-one
Names & synonyms
3-phthalidylpyrrole3-phthalidyl-pyrroleSCHEMBL11711616QOGXHXLRMMZEDU-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21425035
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Related reactions
8 records
Compound notes
Loading…