BCY
Summary
| Name: | CARBOXYAMINO[4.3.0]BICYCLO1,6-DIAZANONAN-2-ONE |
| Formula: | C9 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 197.234 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S,7S)-7-amino-7-methyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carbaldehyde |
| OpenEye OEToolkits | 1.5.0 | (1S,4S,7S)-7-amino-7-methyl-8-oxo-2,3,5,6-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-1-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CC2N1C(=O)C(N)(CCN1CC2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@]1(N)CCN2CC[C@@H](C=O)N2C1=O |
| SMILES | CACTVS | 3.341 | C[C]1(N)CCN2CC[CH](C=O)N2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@]1(CC[N@@]2CC[C@H](N2C1=O)C=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(CCN2CCC(N2C1=O)C=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H15N3O2/c1-9(10)3-5-11-4-2-7(6-13)12(11)8(9)14/h6-7H,2-5,10H2,1H3/t7-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | DBXOZYHJFAKQPU-CBAPKCEASA-N |
