Basic information
- Standard SMILES
CCOC(=O)C1(C)NC=C(c2c(C)cc(C)cc2C)C1N- InChIKey
OXKWQPJVEFOHDK-UHFFFAOYSA-N- Molecular formula
- C17H24N2O2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.18377801
Names & identifiers
- Preferred name
- 3-Amino-2-ethoxycarbonyl-2-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrrole
- IUPAC
- ethyl 3-amino-2-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrrole-2-carboxylate
Names & synonyms
SCHEMBL8628701OXKWQPJVEFOHDK-UHFFFAOYSA-N3-Amino-2-ethoxycarbonyl-2-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrrole
Database identifiers
- PubChem CID
- 67645147
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Related reactions
1 records
Compound notes
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