5-Methyl-3-methylidene-5-[4-(pyrrolidine-1-sulfonyl)phenyl]oxolan-2-one
Basic information
- CAS
77547-06-9- Standard SMILES
C=C1CC(C)(c2ccc(S(=O)(=O)N3CCCC3)cc2)OC1=O- InChIKey
BLMJXRKBSZLJHW-UHFFFAOYSA-N- Molecular formula
- C16H19NO4S
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.10347926
Names & identifiers
- Preferred name
- 5-Methyl-3-methylidene-5-[4-(pyrrolidine-1-sulfonyl)phenyl]oxolan-2-one
- IUPAC
- 5-methyl-3-methylidene-5-(4-pyrrolidin-1-ylsulfonylphenyl)oxolan-2-one
Names & synonyms
77547-06-9NSC201390DTXSID903080075-Methyl-3-methylidene-5-[4-(pyrrolidine-1-sulfonyl)phenyl]oxolan-2-oneNSC-201390
Database identifiers
- CAS
77547-06-9- PubChem CID
- 304709
- DTXSID
DTXSID90308007
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 565
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Compound notes
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