Methyl 1,2-dimethyl-5-oxo-2-pyrrolidinecarboxylate
Basic information
- CAS
56145-23-4- Standard SMILES
COC(=O)C1(C)CCC(=O)N1C- InChIKey
VDHYNGYRJBUGFC-UHFFFAOYSA-N- Molecular formula
- C8H13NO3
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.08954328
Names & identifiers
- Preferred name
- Methyl 1,2-dimethyl-5-oxo-2-pyrrolidinecarboxylate
- IUPAC
- methyl 1,2-dimethyl-5-oxopyrrolidine-2-carboxylate
- English name
- 1,2-Dimethyl-5-oxo-2-pyrrolidinecarboxylic acid methyl ester
- Molecular formula
- C8H13NO3
- Molecular weight
- 171.19
Names & synonyms
Methyl 1,2-dimethyl-5-oxo-2-pyrrolidinecarboxylate56145-23-4DTXSID40341606RefChem:353206DTXCID20292687SCHEMBL29253988VDHYNGYRJBUGFC-UHFFFAOYSA-N2-Pyrrolidinecarboxylic acid, 1,2-dimethyl-5-oxo-, methyl esterMethyl 1,2-dimethyl-5-oxoprolinateMethyl 1,2-dimethyl-5-oxo-2-pyrrolidinecarboxylate #Proline, 1,2-dimethyl-5-oxo-, methyl ester1,2-Dimethyl-5-oxo-2-pyrrolidinecarboxylic acid methyl ester
Database identifiers
- CAS
56145-23-4- PubChem CID
- 574376
- DTXSID
DTXSID40341606- Nikkaji
- J127.912B
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 262.563 · 262.563±33.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.124 · 1.124±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.42 · -2.420±0.40(predicted)
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Compound notes
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