Basic information
- Standard SMILES
CCCCC1OC(=O)c2cc(NC=O)ccc21- InChIKey
GHOQWPSAWQMDAI-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
Names & identifiers
- Preferred name
- 3-Butyl-6-formamido-phthalide
- IUPAC
- N-(1-butyl-3-oxo-1H-2-benzofuran-5-yl)formamide
Names & synonyms
3-Butyl-6-formamido-phthalideSCHEMBL6741234GHOQWPSAWQMDAI-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 9834570
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Related reactions
2 records
Compound notes
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