7-(1-Methylethylidene)bicyclo(4.1.0)heptane
PubChem CID: 40707
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| Compound Synonyms | 53282-47-6, 7-propan-2-ylidenebicyclo[4.1.0]heptane, 7-(1-METHYLETHYLIDENE)BICYCLO(4.1.0)HEPTANE, 7-(propan-2-ylidene)bicyclo[4.1.0]heptane, Bicyclo[4.1.0]heptane, 7-(1-methylethylidene)-, 7-propan-2-ylidenebicyclo(4.1.0)heptane, DTXSID20967863, UPWUDJZKOSQIRQ-UHFFFAOYSA-N, 7-isopropylidene-bicyclo[4.1.0]heptane, DB-326058, 7-(1-methylethylidene)-bicyclo[4.1.0]-heptane, 7-(1-Methylethylidene)bicyclo[4.1.0]heptane #, BICYCLO[4.1.0]HEPTANE, 7-(METHYLETHYLIDENE)- |
|---|---|
| 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 | CC1C2CCCCC12 |
| Deep Smiles | CC=CCC3CCCC6)))))))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1C2CCCCC12 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 158.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-propan-2-ylidenebicyclo[4.1.0]heptane |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16 |
| Scaffold Graph Node Bond Level | C=C1C2CCCCC12 |
| Inchi Key | UPWUDJZKOSQIRQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | bicyclo 4.1.0 heptane,7-(1-methylethylidene)- |
| Esol Class | Soluble |
| Functional Groups | CC(C)=C1CC1 |
| Compound Name | 7-(1-Methylethylidene)bicyclo(4.1.0)heptane |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| 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/C10H16/c1-7(2)10-8-5-3-4-6-9(8)10/h8-9H,3-6H2,1-2H3 |
| Smiles | CC(=C1C2C1CCCC2)C |
| 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 Tagetes Minuta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.793975