Basic information
- Standard SMILES
CCOC(=O)c1ccc(C2=CCN(C(=O)OC(C)(C)C)C2)cc1- InChIKey
PXAICNCWFLMNFS-UHFFFAOYSA-N- Molecular formula
- C18H23NO4
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.16270821
Names & identifiers
- Preferred name
- tert-Butyl 3-[4-(ethoxycarbonyl)phenyl]-2,5-dihydro-1H-pyrrole-1-carboxylate
- IUPAC
- tert-butyl 3-(4-ethoxycarbonylphenyl)-2,5-dihydropyrrole-1-carboxylate
Names & synonyms
PXAICNCWFLMNFS-UHFFFAOYSA-Ntert-Butyl 3-[4-(ethoxycarbonyl)phenyl]-2,5-dihydro-1H-pyrrole-1-carboxylate
Database identifiers
- PubChem CID
- 86644576
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 470
Related reactions
2 records
Compound notes
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