2-(2-Methylpropylidene)cyclopent-4-ene-1,3-dione
PubChem CID: 76328525
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| Compound Synonyms | CHEMBL3113342 |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 237.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-(2-methylpropylidene)cyclopent-4-ene-1,3-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C9H10O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DVWDTZYSDQYULE-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.378 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.839 |
| Compound Name | 2-(2-Methylpropylidene)cyclopent-4-ene-1,3-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 150.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7004973999999997 |
| Inchi | InChI=1S/C9H10O2/c1-6(2)5-7-8(10)3-4-9(7)11/h3-6H,1-2H3 |
| Smiles | CC(C)C=C1C(=O)C=CC1=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Plectranthus Amboinicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all