Basic information
- CAS
59867-86-6- Standard SMILES
NC(=O)[C@@H]1CCCN1C=O- InChIKey
NOVXRSOHVNAMMK-YFKPBYRVSA-N- Molecular formula
- C6H10N2O2
- Average molar mass
- 142.16 g/mol
Names & identifiers
- Preferred name
- (S)-1-Formylpyrrolidine-2-carboxamide
- IUPAC
- (2S)-1-formylpyrrolidine-2-carboxamide
- English name
- 2-Pyrrolidinecarboxamide,1-formyl-,(2S)-(9CI)
- Molecular formula
- C6H10N2O2
- Molecular weight
- 142.16
Names & synonyms
(S)-1-Formylpyrrolidine-2-carboxamide59867-86-6SCHEMBL1302797SCHEMBL3429810SCHEMBL89590512-Pyrrolidinecarboxamide, 1-formyl-, (2S)-2-Pyrrolidinecarboxamide,1-formyl-,(2S)-(9CI)
Database identifiers
- CAS
59867-86-6- Nikkaji
- J1.106.430B
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 426.5 · 426.5±34.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- pka
- 15.65 · 15.65±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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