Einecs 301-744-1
Basic information
- CAS
94042-78-1- Standard SMILES
Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1.O=C1CC[C@@H](C(=O)O)N1- InChIKey
WPVOVAIIYRLDTK-PHDZUTJZSA-N- Molecular formula
- C24H29N3O3
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.2208918
Names & identifiers
- Preferred name
- Einecs 301-744-1
- IUPAC
- 2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine;(2S)-5-oxopyrrolidine-2-carboxylic acid
Names & synonyms
EINECS 301-744-194042-78-15-Oxo-L-proline, compound with (E)-2-(3-(1-pyrrolidinyl)-1-(p-tolyl)prop-1-enyl)pyridine (1:1)NS00091978
Database identifiers
- CAS
94042-78-1- PubChem CID
- 44147673
- EC Number
- 301-744-1
Properties
Computed structural properties
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 490
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Related reactions
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Compound notes
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