Basic information
- CAS
6733-19-3- Standard SMILES
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C1CC(=O)[O-]- InChIKey
NEAAMVGPWZFMQJ-UHFFFAOYSA-M- Molecular formula
- C16H16NO5-
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.10284761
Names & identifiers
- Preferred name
- 2-(4-ethoxycarbonyl-5-methyl-2-oxo-1-phenyl-3H-pyrrol-3-yl)acetate
- IUPAC
- 2-(4-ethoxycarbonyl-5-methyl-2-oxo-1-phenyl-3H-pyrrol-3-yl)acetate
Names & synonyms
6733-19-32-(4-ethoxycarbonyl-5-methyl-2-oxo-1-phenyl-3H-pyrrol-3-yl)acetateDTXSID90410199[4-(Ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,3-dihydro-1H-pyrrol-3-yl]acetate
Database identifiers
- CAS
6733-19-3- PubChem CID
- 5210550
- DTXSID
DTXSID90410199
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- -1
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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