Ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate
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Basic information
- CAS
98431-77-7- Standard SMILES
CCOC(=O)C1CCC=N1- InChIKey
GIBYAWAMDZXFJS-UHFFFAOYSA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
Names & identifiers
- Preferred name
- Ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate
- IUPAC
- ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate
- English name
- 1-Pyrroline-5-carboxylicacid,ethylester(6CI)
- Molecular formula
- C7H11NO2
- Molecular weight
- 141.17
Names & synonyms
Ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate98431-77-7MFCD24501659SCHEMBL29036873AC7479AKOS027420060SY129444Ethyl3,4-dihydro-2H-pyrrole-2-carboxylateCS-04578011-Pyrroline-5-carboxylicacid,ethylester(6CI)3,4-dihydro-2H-pyrrole-2-carboxylic acid ethyl ester2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-, ethyl ester
Database identifiers
- CAS
98431-77-7
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
- 217.4 · 217.4±40.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 5.87 · 5.87±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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