Tricyclo(4.1.0.02,7)hept-3-ene
PubChem CID: 142020
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| Compound Synonyms | Tricyclo(4.1.0.02,7)hept-3-ene, 35618-58-7, Homobenzvalene, Tricyclo[4.1.0.02,7]hept-3-ene, DTXSID80956990, Tricyclo[4.1.0.0~2,7~]hept-3-ene |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2C3C(C1)C23 |
| Np Classifier Class | Iridoids monoterpenoids |
| Deep Smiles | C=CCCCC6)C43 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Polycyclic hydrocarbons |
| Scaffold Graph Node Level | C1CC2C3C(C1)C23 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tricyclo[4.1.0.02,7]hept-3-ene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H8 |
| Scaffold Graph Node Bond Level | C1=CC2C3C(C1)C23 |
| Inchi Key | DPUKPSVYXFHXAF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | homobenzvalene |
| Esol Class | Very soluble |
| Functional Groups | CC=CC |
| Compound Name | Tricyclo(4.1.0.02,7)hept-3-ene |
| Exact Mass | 92.0626 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 92.0626 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 92.14 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H8/c1-2-4-6-5(3-1)7(4)6/h1-2,4-7H,3H2 |
| Smiles | C1C=CC2C3C1C23 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Leea Indica (Plant) Rel Props:Reference:ISBN:9770972795006