Ethyl 5-(3-amino-2-hydroxyphenyl)-1,2,4-trimethylpyrrole-3-carboxylate
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Basic information
- Standard SMILES
CCOC(=O)c1c(C)c(-c2cccc(N)c2O)n(C)c1C- InChIKey
JYGAZRRCFNQYGK-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.1473925
Names & identifiers
- Preferred name
- Ethyl 5-(3-amino-2-hydroxyphenyl)-1,2,4-trimethylpyrrole-3-carboxylate
- IUPAC
- ethyl 5-(3-amino-2-hydroxyphenyl)-1,2,4-trimethylpyrrole-3-carboxylate
Names & synonyms
SCHEMBL3360381
Database identifiers
- PubChem CID
- 59615665
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Related reactions
2 records
Compound notes
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