Basic information
- Standard SMILES
COc1ccc(SC[C@H]2CCC(=O)N2)cc1- InChIKey
MSSGUOZMTFKXCA-SECBINFHSA-N- Molecular formula
- C12H15NO2S
- Average molar mass
- 237.32 g/mol
- Monoisotopic mass
- 237.08234989
Names & identifiers
- Preferred name
- (R)-5-((4-methoxyphenylthio)methyl)pyrrolidin-2-one
- IUPAC
- (5R)-5-[(4-methoxyphenyl)sulfanylmethyl]pyrrolidin-2-one
Names & synonyms
SCHEMBL3403173MSSGUOZMTFKXCA-SECBINFHSA-N(R)-5-((4-methoxyphenylthio)methyl)pyrrolidin-2-one
Database identifiers
- PubChem CID
- 57864652
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Related reactions
1 records
Compound notes
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