(1R,2R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one
PubChem CID: 10060497
Connections displayed (default: 10).
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| Topological Polar Surface Area | 23.6 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 392.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,2R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C15H22N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HQSKZPOVBDNEGN-RJZRQDKASA-N |
| Fcsp3 | 0.8 |
| Logs | -1.867 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.813 |
| Compound Name | (1R,2R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 246.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3375947999999998 |
| Inchi | InChI=1S/C15H22N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h4,6,11-12,14-15H,1-3,5,7-10H2/t11-,12-,14+,15-/m1/s1 |
| Smiles | C1CCN2C[C@H]3C[C@@H]([C@@H]2C1)CN4[C@@H]3CC(=O)C=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lupinus Albus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Prunus Humilis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Prunus Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients