Norviburtinal
PubChem CID: 390664
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Norviburtinal, 85051-41-8, cyclopenta[c]pyran-7-carbaldehyde, Cyclopenta[c]pyran-7-carboxaldehyde, C9H6O2, Cyclopenta[c]pyran-7-carboxaldehyde (9CI), SCHEMBL96526, CHEMBL1996335, DTXSID20327807, NSC688276, AKOS030591612, FS-9098, NSC-688276, NCI60_031868 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 30.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Iridoids monoterpenoids |
| Deep Smiles | O=Ccccc-c5cocc6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CC2CCOCC2C1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 156.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclopenta[c]pyran-7-carbaldehyde |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H6O2 |
| Scaffold Graph Node Bond Level | c1cc2ccocc-2c1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VRMFZTBAWYVGGB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -3.053 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.412 |
| Synonyms | norviburtinal |
| Esol Class | Soluble |
| Functional Groups | cC=O, coc |
| Compound Name | Norviburtinal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 146.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 146.037 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 146.14 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.186453545454545 |
| Inchi | InChI=1S/C9H6O2/c10-5-8-2-1-7-3-4-11-6-9(7)8/h1-6H |
| Smiles | C1=COC=C2C1=CC=C2C=O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Kigelia Africana (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all