Basic information
- CAS
155755-47-8- Standard SMILES
CCOC(=O)[C@@H]1C=C[C@H](NC(C)=O)C1- InChIKey
UJFYAMQVAANQJH-BDAKNGLRSA-N- Molecular formula
- C10H15NO3
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.10519334
Names & identifiers
- Preferred name
- ethyl (1S,4R)-4-acetamidocyclopent-2-ene-1-carboxylate
- IUPAC
- ethyl (1S,4R)-4-acetamidocyclopent-2-ene-1-carboxylate
- English name
- 2-Cyclopentene-1-carboxylicacid,4-(acetylamino)-,ethylester,(1R,4S)-rel-
- Molecular formula
- C10H15NO3
- Molecular weight
- 197.23
Names & synonyms
SCHEMBL69176612-Cyclopentene-1-carboxylicacid,4-(acetylamino)-,ethylester,(1R,4S)-rel-
Database identifiers
- CAS
155755-47-8- PubChem CID
- 69936520
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 349.5 · 349.5±42.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 15.35 · 15.35±0.40(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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