(NZ)-N-[(E)-4-(2,2,6-trimethylcyclohexyl)but-3-en-2-ylidene]hydroxylamine
PubChem CID: 101599321
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | O/N=CC=CCCC)CCCC6C)C)))))))))/C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Organonitrogen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Oximes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 266.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (NZ)-N-[(E)-4-(2,2,6-trimethylcyclohexyl)but-3-en-2-ylidene]hydroxylamine |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H23NO |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | GNQRLZNIHLZHBQ-UWWXTLEHSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | dihydro-β-ionone oxime (e+z,19) |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C(C)=NO |
| Compound Name | (NZ)-N-[(E)-4-(2,2,6-trimethylcyclohexyl)but-3-en-2-ylidene]hydroxylamine |
| Exact Mass | 209.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 209.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 209.33 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H23NO/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14-15/h7-8,10,12,15H,5-6,9H2,1-4H3/b8-7+,14-11- |
| Smiles | CC1CCCC(C1/C=C/C(=N\O)/C)(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Champaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9700493