6C8
Summary
| Name: | (2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one |
| Formula: | C11 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 191.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one |
| OpenEye OEToolkits | 2.0.4 | (~{E})-3-(furan-3-yl)-1-pyrrolidin-1-yl-prop-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(\C=C\c1cocc1)N2CCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h3-5,8-9H,1-2,6-7H2/b4-3+ |
| InChIKey | InChI | 1.03 | GAMDFDCJGGCXFH-ONEGZZNKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(\C=C\c1cocc1)N2CCCC2 |
| SMILES | CACTVS | 3.385 | O=C(C=Cc1cocc1)N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cocc1/C=C/C(=O)N2CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cocc1C=CC(=O)N2CCCC2 |
