Basic information
- Standard SMILES
COC(=O)C(CN1C(=O)C=C(c2ccccc2)C1=O)C1(C)OCCO1- InChIKey
XQKCPVBVEQBYGB-UHFFFAOYSA-N- Molecular formula
- C18H19NO6
- Average molar mass
- 345.3 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(2,5-dioxo-3-phenyl-2,5-dihydro-pyrrol-1-yl)-2-(2-methyl-[1,3]dioxolan-2-yl)propionate
- IUPAC
- methyl 3-(2,5-dioxo-3-phenylpyrrol-1-yl)-2-(2-methyl-1,3-dioxolan-2-yl)propanoate
Names & synonyms
SCHEMBL5998196XQKCPVBVEQBYGB-UHFFFAOYSA-NMethyl 3-(2,5-dioxo-3-phenyl-2,5-dihydro-pyrrol-1-yl)-2-(2-methyl-[1,3]-dioxolan-2-yl)propionateMethyl 3-(2,5-dioxo-3-phenyl-2,5-dihydro-pyrrol-1-yl)-2-(2-methyl-[1,3]dioxolan-2-yl)propionate
Database identifiers
- PubChem CID
- 21982263
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 586
Related reactions
1 records
Compound notes
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