3-Cyclopentene-1-acetaldehyde
PubChem CID: 11804701
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| Compound Synonyms | 3-Cyclopentene-1-acetaldehyde, 14055-37-9, 2-(CYCLOPENT-3-EN-1-YL)ACETALDEHYDE, DTXSID90472979, 2-cyclopent-3-en-1-ylacetaldehyde, SCHEMBL3355258, DTXCID80423793 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 97.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-cyclopent-3-en-1-ylacetaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C7H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMTDBJYJLPMQIB-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -1.214 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.008 |
| Compound Name | 3-Cyclopentene-1-acetaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 110.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 110.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0650671999999997 |
| Inchi | InChI=1S/C7H10O/c8-6-5-7-3-1-2-4-7/h1-2,6-7H,3-5H2 |
| Smiles | C1C=CCC1CC=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abrus Pulchellus (Plant) Rel Props:Source_db:cmaup_ingredients