3-(1-Methyl-3-indolylcarbonyl)acrylic acid
Basic information
- Standard SMILES
Cn1cc(C(=O)C=CC(=O)O)c2ccccc21- InChIKey
ZZDWUDWWOYMDSB-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
Names & identifiers
- Preferred name
- 3-(1-Methyl-3-indolylcarbonyl)acrylic acid
- IUPAC
- 4-(1-methylindol-3-yl)-4-oxobut-2-enoic acid
Names & synonyms
SCHEMBL11233424ZZDWUDWWOYMDSB-UHFFFAOYSA-NAKOS0175092413-(1-methyl-3-indolylcarbonyl)acrylic acid
Database identifiers
- PubChem CID
- 54573802
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 351
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Related reactions
4 records
Compound notes
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