H31
Summary
| Name: | 1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one |
| Formula: | C17 H17 N O |
| Formal charge: | 0 |
| Formula weight: | 251.323 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one |
| OpenEye OEToolkits | 2.0.6 | 1-[2-(4-methylphenyl)phenyl]pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccc(cc1)C)c3c(N2CCCC2=O)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H17NO/c1-13-8-10-14(11-9-13)15-5-2-3-6-16(15)18-12-4-7-17(18)19/h2-3,5-6,8-11H,4,7,12H2,1H3 |
| InChIKey | InChI | 1.03 | YEVWXVKNDBSTQP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)c2ccccc2N3CCCC3=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)c2ccccc2N3CCCC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)c2ccccc2N3CCCC3=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)c2ccccc2N3CCCC3=O |
