6-(Benzylideneamino)-7-cyano-N-phenyl-2,3-dihydro-1H-pyrrolizine-5-carboxamide
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Basic information
- Standard SMILES
N#Cc1c(N=Cc2ccccc2)c(C(=O)Nc2ccccc2)n2c1CCC2- InChIKey
MPXCZFFCIMXRHJ-UHFFFAOYSA-N- Molecular formula
- C22H18N4O
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.14806121
Names & identifiers
- Preferred name
- 6-(Benzylideneamino)-7-cyano-N-phenyl-2,3-dihydro-1H-pyrrolizine-5-carboxamide
- IUPAC
- 2-(benzylideneamino)-1-cyano-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
Names & synonyms
NSC696794NSC-6967942-[(E)-benzylideneamino]-1-cyano-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide6-(Benzylideneamino)-7-cyano-N-phenyl-2,3-dihydro-1H-pyrrolizine-5-carboxamide
Database identifiers
- PubChem CID
- 393867
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 597
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Compound notes
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