Basic information
- Standard SMILES
COC(=O)C=Cc1ccc(C)n1Cc1ccccc1- InChIKey
LVRWQOWWKFCCOP-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- 3-(1-benzyl-5-methyl-1H-pyrrol-2-yl)-acrylic acid methyl ester
- IUPAC
- methyl 3-(1-benzyl-5-methylpyrrol-2-yl)prop-2-enoate
Names & synonyms
SCHEMBL3196153LVRWQOWWKFCCOP-UHFFFAOYSA-N3-(1-benzyl-5-methyl-1H-pyrrol-2-yl)-acrylic acid methyl ester
Database identifiers
- PubChem CID
- 68545689
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
1 records
Compound notes
Loading…