Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC2CN(c3cc(C#N)cc(N)c3Cl)CCC21- InChIKey
UFYBEKKRMQIXTG-UHFFFAOYSA-N- Molecular formula
- C19H25ClN4O2
- Average molar mass
- 376.9 g/mol
Names & identifiers
- Preferred name
- tert-butyl 5-(3-amino-2-chloro-5-cyanophenyl)octahydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
- IUPAC
- tert-butyl 5-(3-amino-2-chloro-5-cyanophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carboxylate
Names & synonyms
SCHEMBL15414404UFYBEKKRMQIXTG-UHFFFAOYSA-Ntert-butyl 5-(3-amino-2-chloro-5-cyanophenyl)octahydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
Database identifiers
- PubChem CID
- 89923100
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 584
Related reactions
2 records
Compound notes
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