| Molecular Formula | C14H16N2O4 |
| Canonicalized Compound | 1 |
| Compound Complexity | 293 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Rotatable Bond Count | 3 |
| Allowed IUPAC Name | 1-benzylpyrrolidine-3-carbonitrile;oxalic acid |
| CAS-like Style IUPAC Name | oxalic acid;1-(phenylmethyl)-3-pyrrolidinecarbonitrile |
| Markup IUPAC Name | 1-benzylpyrrolidine-3-carbonitrile;oxalic acid |
| Preferred IUPAC Name | 1-benzylpyrrolidine-3-carbonitrile;oxalic acid |
| Systematic IUPAC Name | ethanedioic acid;1-(phenylmethyl)pyrrolidine-3-carbonitrile |
| Traditional IUPAC Name | 1-benzylpyrrolidine-3-carbonitrile;oxalic acid |
| Standard InChI | InChI=1S/C12H14N2.C2H2O4/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11;3-1(4)2(5)6/h1-5,12H,6-7,9-10H2;(H,3,4)(H,5,6) |
| Standard InChIKey | NLBJMBNDZZMLDI-UHFFFAOYSA-N |
| Exact Mass | 276.11100700 |
| Molecular Weight | 276.29 |
| Canonical SMILES | C1CN(CC1C#N)CC2=CC=CC=C2.C(=O)(C(=O)O)O |
| Isomeric SMILES | C1CN(CC1C#N)CC2=CC=CC=C2.C(=O)(C(=O)O)O |
| Polar Surface Area Topological | 102 |
| MonoIsotopic Weight | 276.11100700 |
| Chemical Structure |  |
| Class | Specialty Materials |
