(S)-ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate
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Basic information
- CAS
172879-74-2- Standard SMILES
CCOC(=O)[C@@H]1CCC=N1- InChIKey
GIBYAWAMDZXFJS-LURJTMIESA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Names & identifiers
- Preferred name
- (S)-ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate
- IUPAC
- ethyl (2S)-3,4-dihydro-2H-pyrrole-2-carboxylate
- English name
- 2H-Pyrrole-2-carboxylicacid,3,4-dihydro-,ethylester,(2S)-(9CI)
- Molecular formula
- C7H11NO2
- Molecular weight
- 141.17
Names & synonyms
(S)-ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate172879-74-2Ethyl (2S)-3,4-dihydro-2H-pyrrole-2-carboxylate2H-Pyrrole-2-carboxylicacid,3,4-dihydro-,ethylester,(2S)-(9CI)(S)-Ethyl3,4-dihydro-2H-pyrrole-2-carboxylateethyl (S)-3,4-dihydro-2H-pyrrole-2-carboxylate
Database identifiers
- CAS
172879-74-2- PubChem CID
- 11446384
- Nikkaji
- J1.690.763D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 217.406 · 217.406±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.137 · 1.137±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.865 · 5.865±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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