(E)-5-Nonen-2-one
PubChem CID: 5363537
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| Compound Synonyms | (E)-non-5-en-2-one, 75606-70-1, (5E)-5-Nonen-2-one, trans-non-5-en-2-one, (5E)-NON-5-EN-2-ONE, (E)-5-Nonen-2-one, 5-Nonen-2-one, (E)-, FEMA No. 4326, 5-Nonen-2-one, (5E)-, 5-Nonen-trans-2-one [FHFI], UNII-S997U4XU8E, S997U4XU8E, CHEBI:167144, trans-5-nonen-2-one, (5E)-5-Nonen-2-one #, SCHEMBL1784552, FEMA 4326, 5-NONEN-2-ONE, TRANS-, CHEBI:180466, LMFA12000141, NS00013043, EN300-1828789, Q27289074 |
|---|---|
| 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 | CCC/C=C/CCC=O)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Detected in many food volatiles |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-non-5-en-2-one |
| Class | Carbonyl compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.2 |
| Superclass | Organooxygen compounds |
| Subclass | Ketones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H16O |
| Inchi Key | RXFZCBZCGBDPDT-AATRIKPKSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | (5E)-5-Nonen-2-one, 5-nonen-2-one |
| Substituent Name | Ketone, Hydrocarbon derivative, Aliphatic acyclic compound |
| Esol Class | Very soluble |
| Functional Groups | C/C=C/C, CC(C)=O |
| Compound Name | (E)-5-Nonen-2-one |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5+ |
| Smiles | CCC/C=C/CCC(=O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Ketones |
| 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