Basic information
- Standard SMILES
CCOC(=O)N1C2CCC1C(C=O)=C(Cl)C2- InChIKey
SMVCIVXSPHMFJJ-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO3
- Average molar mass
- 243.68 g/mol
- Monoisotopic mass
- 243.066221
Names & identifiers
- Preferred name
- 8-Ethoxycarbonyl-3-chloro-2-formyl-8-azabicyclo[3.2.1]oct-2-ene
- IUPAC
- ethyl 3-chloro-2-formyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
Names & synonyms
SCHEMBL7826658SMVCIVXSPHMFJJ-UHFFFAOYSA-N8-Ethoxycarbonyl-3-chloro-2-formyl-8-azabicyclo [3.2.1]oct-2-ene8-Ethoxycarbonyl-3-chloro-2-formyl-8-azabicyclo[3.2.1]oct-2-ene
Database identifiers
- PubChem CID
- 21708669
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 353
Related reactions
17 records
Compound notes
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