3-(2-Furyl)acryloyl-L-proline
Basic information
- CAS
201156-86-7- Standard SMILES
O=C(O)[C@@H]1CCCN1C(=O)C=Cc1ccco1- InChIKey
JQPXLPVJRYDONF-JTQLQIEISA-N- Molecular formula
- C12H13NO4
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.0844579
Names & identifiers
- Preferred name
- 3-(2-Furyl)acryloyl-L-proline
- IUPAC
- (2S)-1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
- English name
- Fa-Pro-OH
- Molecular formula
- C12H13NO4
- Molecular weight
- 235.24
Names & synonyms
3-(2-Furyl)acryloyl-L-proline201156-86-7(2S)-1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acidSCHEMBL2636761DTXSID103501291-[3-(Furan-2-yl)prop-2-enoyl]-L-prolineFa-Pro-OHFA-PROLINEN-ALPHA-3-(2-FURYL)ACRYLOYL-L-PROLINEL-Proline, 1-[3-(2-furanyl)-1-oxo-2-propen-1-yl]-(S)-1-(3-(FURAN-2-YL)ACRYLOYL)PYRROLIDINE-2-CARBOXYLIC ACID
Database identifiers
- CAS
201156-86-7- PubChem CID
- 674014
- DTXSID
DTXSID10350129
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 487 · 487.0±45.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 3.66 · 3.66±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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