3-Methylcyclopentene
PubChem CID: 14263
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| Compound Synonyms | 3-METHYLCYCLOPENTENE, 1120-62-3, Cyclopentene, 3-methyl-, 3-methylcyclopent-1-ene, 3-Methyl-1-cyclopentene, 3-methylcyclopentene-1, 3-methyl-cyclopentene, EINECS 214-315-8, DTXSID80870844, (RS)-3-Methylcyclopentene, 3-Methylcyclopentene, 5-Methylcyclopentene, R,S-3-Methylcyclopentene, 3-Methyl-1-cyclopentene #, DTXCID80818529, CHEBI:177575, MFCD00053260, AKOS006283775, DB-241099, NS00045149, EN300-1663070, 214-315-8 |
|---|---|
| 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 | C1CCCC1 |
| Deep Smiles | CCCCC=C5 |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 62.4 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylcyclopentene |
| Class | Unsaturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 2.3 |
| Superclass | Hydrocarbons |
| Subclass | Olefins |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H10 |
| Scaffold Graph Node Bond Level | C1=CCCC1 |
| Inchi Key | CXOZQHPXKPDQGT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 3-Methyl-1-cyclopentene, 3-Methyl-cyclopentene, 3-Methylcyclopentene-1, 3-methylcyclopentene |
| Esol Class | Very soluble |
| Functional Groups | CC=CC |
| Compound Name | 3-Methylcyclopentene |
| Kingdom | Organic compounds |
| Exact Mass | 82.0783 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 82.0783 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 82.14 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3 |
| Smiles | CC1CCC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cycloalkenes |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Arguta (Plant) Rel Props:Reference:https://doi.org/10.1016/s0031-9422(03)00142-0 - 2. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698798 - 3. Outgoing r'ship
FOUND_INto/from Jasminum Sambac (Plant) Rel Props:Reference:ISBN:9788172361150