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Basic information
- Standard SMILES
O=C(O)C=Cc1ccc2c(c1)CC(=O)N2- InChIKey
QOALYJNPYNSNAI-UHFFFAOYSA-N- Molecular formula
- C11H9NO3
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.05824315
Names & identifiers
- Preferred name
- 3-(2-Oxo-1,3-dihydroindol-5-yl)prop-2-enoic acid
- IUPAC
- 3-(2-oxo-1,3-dihydroindol-5-yl)prop-2-enoic acid
Names & synonyms
SCHEMBL1093134
Database identifiers
- PubChem CID
- 66905018
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 311
Related reactions
3 records
Compound notes
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