Cyclobutene, 2-propenylidene-
PubChem CID: 5368360
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| Compound Synonyms | 52097-85-5, Cyclobutene, 2-propenylidene-, (3E)-3-prop-2-enylidenecyclobutene, Cyclobutene, 3-(2-propen-1-ylidene)-, USDJJNZZCBONHN-DAXSKMNVSA-N, DB-247012, NS00125781, (3E)-3-(2-Propenylidene)-1-cyclobutene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E)-3-prop-2-enylidenecyclobutene |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C7H8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | USDJJNZZCBONHN-DAXSKMNVSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -1.93 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.296 |
| Compound Name | Cyclobutene, 2-propenylidene- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 92.0626 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 92.0626 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 92.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.6871741999999996 |
| Inchi | InChI=1S/C7H8/c1-2-4-7-5-3-6-7/h2-5H,1,6H2/b7-4- |
| Smiles | C=C/C=C/1\CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Isodon Henryi (Plant) Rel Props:Source_db:cmaup_ingredients