Ethenyl pyrrolidine-1-carboxylate
Basic information
- CAS
15453-22-2- Standard SMILES
C=COC(=O)N1CCCC1- InChIKey
ZXZIAYPVRIZYNZ-UHFFFAOYSA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Names & identifiers
- Preferred name
- Ethenyl pyrrolidine-1-carboxylate
- IUPAC
- ethenyl pyrrolidine-1-carboxylate
- English name
- 1-Pyrrolidinecarboxylicacid,ethenylester(9CI)
- Molecular formula
- C7H11NO2
- Molecular weight
- 141.17
Names & synonyms
Ethenyl pyrrolidine-1-carboxylate15453-22-21-Pyrrolidinecarboxylicacid,ethenylester(9CI)SCHEMBL25924206DTXSID305470541-Pyrrolidinecarboxylic acid, ethenyl ester
Database identifiers
- CAS
15453-22-2- PubChem CID
- 13699787
- DTXSID
DTXSID30547054
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 49 °C · 49 °C(Press: 0.5 Torr)
- Density
- 1.094 · 1.094±0.06 g/cm3(Predicted)
- pka
- -1.54 · -1.54±0.20(Predicted)
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Compound notes
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