Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC2C=C(c3cnc(Cl)c(Cl)c3)CC2C1- InChIKey
WNXVANIIMOWPFZ-UHFFFAOYSA-N- Molecular formula
- C17H20Cl2N2O2
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 354.0901833
Names & identifiers
- Preferred name
- tert-butyl 5-(5,6-dichloro-3-pyridinyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
- IUPAC
- tert-butyl 5-(5,6-dichloro-3-pyridinyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
Names & synonyms
SCHEMBL5938717
Database identifiers
- PubChem CID
- 21892680
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 503
Related reactions
1 records
Compound notes
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