1-[4-(Hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
Basic information
- CAS
400737-90-8- Standard SMILES
O=C1CCCN1c1ccc(S(=O)(=O)CO)cc1- InChIKey
QVPFJAJCCKCOSP-UHFFFAOYSA-N- Molecular formula
- C11H13NO4S
- Average molar mass
- 255.29 g/mol
- Monoisotopic mass
- 255.05652907
Names & identifiers
- Preferred name
- 1-[4-(Hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
- IUPAC
- 1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
Names & synonyms
400737-90-81-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one1-{4-[(hydroxymethyl)sulfonyl]phenyl}-2-pyrrolidinoneOprea1_189799Oprea1_698712DTXSID00353124AKOS000670581AG-690/127633491-[4-(Hydroxymethanesulfonyl)phenyl]pyrrolidin-2-one
Database identifiers
- CAS
400737-90-8- PubChem CID
- 736863
- DTXSID
DTXSID00353124
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 379
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Related reactions
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Compound notes
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