2-(but-2-enylideneamino)-1-cyano-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
Basic information
- Standard SMILES
CC=CC=Nc1c(C#N)c2n(c1C(=O)Nc1ccc(C)cc1)CCC2- InChIKey
CXYAYPNTHGNTSB-UHFFFAOYSA-N- Molecular formula
- C20H20N4O
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.16371127
Names & identifiers
- Preferred name
- 2-(but-2-enylideneamino)-1-cyano-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
- IUPAC
- 2-(but-2-enylideneamino)-1-cyano-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
Database identifiers
- PubChem CID
- 393860
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 582
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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