1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate
Basic information
- CAS
151868-68-7- Standard SMILES
N#CCN1CCCC1=NCc1ccccc1.O=C(O)C(=O)O- InChIKey
CKJWMTPUULVHMU-UHFFFAOYSA-N- Molecular formula
- C15H17N3O4
- Average molar mass
- 303.31 g/mol
- Monoisotopic mass
- 303.12190603
Names & identifiers
- Preferred name
- 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate
- IUPAC
- 2-(2-benzyliminopyrrolidin-1-yl)acetonitrile;oxalic acid
Names & synonyms
1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate2-((Phenylmethyl)imino)-1-pyrrolidineacetonitrile ethanedioate (1:1)1-Pyrrolidineacetonitrile, 2-((phenylmethyl)imino)-, ethanedioate (1:1)151868-68-7
Database identifiers
- CAS
151868-68-7- PubChem CID
- 3073729
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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