1-Methyl-6-oxo-1,3,4,5-tetrahydropyrano[3,4-c]pyridine-5-carbaldehyde
PubChem CID: 5317557
Connections displayed (default: 10).
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| Topological Polar Surface Area | 55.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-6-oxo-1,3,4,5-tetrahydropyrano[3,4-c]pyridine-5-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | -0.8 |
| Molecular Formula | C10H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MBYZKNWOAOHALV-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.023 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.826 |
| Compound Name | 1-Methyl-6-oxo-1,3,4,5-tetrahydropyrano[3,4-c]pyridine-5-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 193.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 193.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 193.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.44895239999999964 |
| Inchi | InChI=1S/C10H11NO3/c1-6-8-4-11-10(13)9(5-12)7(8)2-3-14-6/h4-6,9H,2-3H2,1H3 |
| Smiles | CC1C2=C(CCO1)C(C(=O)N=C2)C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Algida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gentiana Crassicaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Gentiana Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Gentiana Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Gentiana Rigescens (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Gentiana Scabra (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Gentiana Straminea (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Gentiana Tibetica (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Menyanthes Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:cmaup_ingredients