Basic information
- Standard SMILES
CCOC(=O)C1(c2cccnc2)CCC1- InChIKey
WAAKJVJOVBKPSD-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- Ethyl 1-pyridin-3-ylcyclobutane-1-carboxylate
- IUPAC
- ethyl 1-pyridin-3-ylcyclobutane-1-carboxylate
Names & synonyms
485828-10-2ethyl 1-pyridin-3-ylcyclobutane-1-carboxylateSCHEMBL2011106WAAKJVJOVBKPSD-UHFFFAOYSA-NDA-05528
Database identifiers
- PubChem CID
- 67246748
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Related reactions
3 records
Linked notes
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