3-Nonen-2-one
PubChem CID: 5317045
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| Compound Synonyms | 3-NONEN-2-ONE, trans-3-Nonen-2-one, (E)-Non-3-en-2-one, 14309-57-0, 18402-83-0, (e)-3-nonen-2-one, 3-Nonen-2-one, (3E)-, (3E)-NON-3-EN-2-ONE, non-3-en-2-one, (3E)-3-Nonen-2-one, 3-Nonen-2-one [FHFI], 3-Nonen-2-one, (E)-, FEMA No. 3955, FR0K39OF16, 3E-Nonen-2-one, EINECS 238-248-9, DTXSID201316311, (3Z)-non-3-en-2-one, DTXSID2065753, UNII-FR0K39OF16, (3E)-nonen-2-one, 3-Non-3-en-2-one, (E)-3-nonene-2-one, SCHEMBL159644, trans-3-Nonen-2-one, 95%, CHEMBL5281370, DTXCID8034667, DTXCID00211275, CHEBI:133457, LMFA12000133, MFCD00010241, AKOS015916245, AS-56497, CS-0152368, N0592, D91739, EN300-7401434, Q27278142, 813-141-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Oxygenated hydrocarbons |
| Deep Smiles | CCCCC/C=C/C=O)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-non-3-en-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H16O |
| Inchi Key | HDKLIZDXVUCLHQ-BQYQJAHWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | (e)-3-nonen-2-one, 3-nonen-2-one |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C(C)=O |
| Compound Name | 3-Nonen-2-one |
| Exact Mass | 140.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 140.22 |
| 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/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+ |
| Smiles | CCCCC/C=C/C(=O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Centella Asiatica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698382 - 2. Outgoing r'ship
FOUND_INto/from Viscum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701029 - 3. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698692