1-p-Menthen-3-one 2,4-dinitrophenylhydrazone
PubChem CID: 9602598
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-p-Menthen-3-one, 1-p-Menthen-3-one 2,4-dinitrophenylhydrazone, DIJWSVXPJDGEIA-OBGWFSINSA-N, (1Z)-6-Isopropyl-3-methyl-2-cyclohexen-1-one (2,4-dinitrophenyl)hydrazone # |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Description | 1-p-menthen-3-one is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring. 1-p-menthen-3-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1-p-menthen-3-one can be found in cornmint, which makes 1-p-menthen-3-one a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 547.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[(Z)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]-2,4-dinitroaniline |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 4.5 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Monoterpenoids |
| Molecular Formula | C16H20N4O4 |
| Inchi Key | DIJWSVXPJDGEIA-OBGWFSINSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1-p-menthen-3-one 2,4-dinitrophenylhydrazone |
| Compound Name | 1-p-Menthen-3-one 2,4-dinitrophenylhydrazone |
| Kingdom | Organic compounds |
| Exact Mass | 332.148 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 332.148 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 332.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C16H20N4O4/c1-10(2)13-6-4-11(3)8-15(13)18-17-14-7-5-12(19(21)22)9-16(14)20(23)24/h5,7-10,13,17H,4,6H2,1-3H3/b18-15+ |
| Smiles | CC1=C/C(=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C(CC1)C(C)C |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Aromatic monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:fooddb_chem_all