V5O
Summary
| Name: | (2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid |
| Formula: | C13 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 231.247 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid |
| OpenEye OEToolkits | 2.0.7 | (~{E})-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)/C=C/c1ccc(cc1)N1CCCC1=O |
| InChI | InChI | 1.06 | InChI=1S/C13H13NO3/c15-12-2-1-9-14(12)11-6-3-10(4-7-11)5-8-13(16)17/h3-8H,1-2,9H2,(H,16,17)/b8-5+ |
| InChIKey | InChI | 1.06 | SMWOSZUZMNXRKC-VMPITWQZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)/C=C/c1ccc(cc1)N2CCCC2=O |
| SMILES | CACTVS | 3.385 | OC(=O)C=Cc1ccc(cc1)N2CCCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=C/C(=O)O)N2CCCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=CC(=O)O)N2CCCC2=O |
