Basic information
- Standard SMILES
CC(=O)NC(=Cc1c[nH]c2cc(C)ccc12)C(=O)O.O- InChIKey
WNGSTEDHZSCSJR-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
Names & identifiers
- Preferred name
- Alpha-acetamido-6-methylindole-3-acrylic acid monohydrate
- IUPAC
- 2-acetamido-3-(6-methyl-1H-indol-3-yl)prop-2-enoic acid;hydrate
Names & synonyms
SCHEMBL11265257WNGSTEDHZSCSJR-UHFFFAOYSA-NAlpha-acetamido-6-methylindole-3-acrylic acid monohydrate
Database identifiers
- PubChem CID
- 70549486
Properties
Computed structural properties
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Related reactions
4 records
Compound notes
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