N-Methyl Piperolactam A
PubChem CID: 25264744
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| Compound Synonyms | N-Methyl piperolactam A, 15-hydroxy-14-methoxy-10-methyl-10-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one, 15-hydroxy-14-methoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one, CHEMBL505869 |
|---|---|
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-hydroxy-14-methoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C17H13NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXOOWJJLSWDXTQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.606 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.198 |
| Compound Name | N-Methyl Piperolactam A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 279.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 279.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 279.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.970862333333333 |
| Inchi | InChI=1S/C17H13NO3/c1-18-12-7-9-5-3-4-6-10(9)15-14(12)11(17(18)20)8-13(21-2)16(15)19/h3-8,19H,1-2H3 |
| Smiles | CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4O)OC)C1=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Louvelii (Plant) Rel Props:Source_db:cmaup_ingredients