2-Methyl-3(2-furyl)acrolein
PubChem CID: 6210220
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| Compound Synonyms | 2-Methyl-3-(2-furyl)propenal, 874-66-8, 2-Methyl-3-(2-furyl)acrolein, alpha-Methyl-2-furanacrolein, alpha-Methylfurylacrolein, Furfurylidene-2-propanal, Furfurylidine-2-propanal, 108576-21-2, 2-Methyl-3-furylacrolein, 2-Furfurylidenepropionaldehyde, 2-methyl-3(2-furyl)acrolein, 3-(2-Furanyl)-2-methyl-2-propenal, alpha-Methyl-beta-(2-furyl)acrolein, 2-Methyl-3-(2-furyl)-2-propenal, UNII-65U4YZ14MX, (2E)-3-(furan-2-yl)-2-methylprop-2-enal, 3-(2-Furyl)methacrylaldehyde, FEMA No. 2704, 2-Furanacrolein, alpha-methyl-, EINECS 212-866-9, 3-Furanacrolein, 2-methyl-, (E)-3-(2-furyl)-2-methyl-2-propenal, 65U4YZ14MX, 3-(Furan-2-yl)-2-methylacrylaldehyde, .ALPHA.-METHYL-2-FURANACROLEIN, 2-FURANACROLEIN, .ALPHA.-METHYL-, METHYL-3-(2-FURYL)ACROLEIN, 2-, 3-(2-FURYL)-2-METHYLPROP-2-ENAL, MFCD00063240, 2-METHYL-3(2-FURYL)ACROLEIN [FHFI], 2-METHYL-3-(.ALPHA.-FURYL)PROPENAL-2, 3-(2-(FURANYL)-2-METHYL-2-PROPENAL, a-methyl-b-furylacrolein, .ALPHA.-METHYL-.BETA.-(2-FURYL)ACROLEIN, alpha-Methylfurylacroleine, (E)-3-(furan-2-yl)-2-methylprop-2-enal, 2-Methyl-3-Furanacrolein, SCHEMBL873405, a-Methyl-2-furanacrolein, 8CI, FEMA 2704, CHEBI:178974, AKOS000289059, AS-76409, (2E)-3-(2-furyl)-2-methyl-2-propenal, (E)-3-(uran-2-yl)-2-methylprop-2-enal, (E)-3-(Furan-2-yl)-2-methylacrylaldehyde, 2-METHYL-3-(ALPHA-FURYL)PROPENAL-2, CS-0235928, EN300-1654368, Z3061414163, 212-866-9 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 30.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | O=C/C=C/cccco5))))))/C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Heteroaromatic compounds |
| Description | Flavouring ingredient. Constituent of roasted sesame seed oil. alpha-Methyl-2-furanacrolein is found in fats and oils. |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(furan-2-yl)-2-methylprop-2-enal |
| Class | Heteroaromatic compounds |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.6 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H8O2 |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Inchi Key | ZNBXZUKDRRRQJK-FNORWQNLSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-Furanacrolein, alpha-methyl-, 2-Furfurylidenepropionaldehyde, 2-Methyl-3-(2-furyl)-2-propenal, 2-Methyl-3-(2-furyl)acrolein, 2-Methyl-3-(2-furyl)propenal, 2-Methyl-3-furanacrolein, 2-Methyl-3-furylacrolein, 2-Propenal, 3-(2-furanyl)-2-methyl-, 3-(2-Furanyl)-2-methyl-2-propenal, 3-(2-Furyl)methacrylaldehyde, 3-Furanacrolein, 2-methyl-, a-Methyl-2-furanacrolein, 8CI, alpha-Methyl-2-furanacrolein, alpha-Methyl-beta-(2-furyl)acrolein, Alpha-methylfurylacrolein, FEMA 2704, Furfurylidene-2-propanal, Furfurylidine-2-propanal, a-Methyl-2-furanacrolein, Α-methyl-2-furanacrolein, a-Methyl-2-furanacrolein, 8ci, alpha-Methylfurylacrolein, 2-methyl-3-(2-furyl)acrolein |
| Esol Class | Very soluble |
| Functional Groups | c/C=C(C)C=O, coc |
| Compound Name | 2-Methyl-3(2-furyl)acrolein |
| Kingdom | Organic compounds |
| Exact Mass | 136.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 136.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-6H,1H3/b7-5+ |
| Smiles | C/C(=C\C1=CC=CO1)/C=O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Heteroaromatic compounds |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Campsis Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730040304