(NZ)-N-(6-methylhept-5-en-2-ylidene)hydroxylamine
PubChem CID: 5925004
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| Compound Synonyms | SCHEMBL11220967 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | O/N=CCCC=CC)C)))))/C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organonitrogen compounds |
| Classyfire Subclass | Oximes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 143.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (NZ)-N-(6-methylhept-5-en-2-ylidene)hydroxylamine |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H15NO |
| Inchi Key | UUTIAUFCXVFAOM-HJWRWDBZSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 6-methyl-5-hepten-2-one oxime (e+z,22) |
| Esol Class | Very soluble |
| Functional Groups | C/C(C)=NO, CC=C(C)C |
| Compound Name | (NZ)-N-(6-methylhept-5-en-2-ylidene)hydroxylamine |
| Exact Mass | 141.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 141.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 141.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H15NO/c1-7(2)5-4-6-8(3)9-10/h5,10H,4,6H2,1-3H3/b9-8- |
| Smiles | CC(=CCC/C(=N\O)/C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Champaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9700493