IUPAC name
3-(2-furanylmethyl)-2-methyl-4-oxo-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
SMILES
CC(=CC1C(C(=O)OC2CC(=O)C(=C2C)Cc2ccco2)C1(C)C)C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
furethrin
IUPAC name
3-(2-furanylmethyl)-2-methyl-4-oxo-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
SMILES
CC(=CC1C(C(=O)OC2CC(=O)C(=C2C)Cc2ccco2)C1(C)C)C
INCHI
InChI=1S/C21H26O4/c1-12(2)9-16-19(21(16,4)5)20(23)25-18-11-17(22)15(13(18)3)10-14-7-6-8-24-14/h6-9,16,18-19H,10-11H2,1-5H3
FORMULA
C21H26O4
Common name
furethrin
IUPAC name
3-(2-furanylmethyl)-2-methyl-4-oxo-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
Molecular weight
342.429
clogP
4.786
clogS
-4.617
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
56.51
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF01001 | furan |
|
o1cccc1 | 0.0079 |
| FDBF01488 | 2-methylprop-1-ene |
|
C=C(C)C | 0.0131 |
| FDBF01618 | 2-methylfuran |
|
Cc1occc1 | 0.0055 |
| FDBF04528 | (1R)-2,2-dimethylcyclopropane-1-carboxylic acid |
|
CC1([C@@H](C1)C(=O)O)C | 0.0141 |
| FDBF04624 | (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid |
|
[C@H]1(C([C@@H]1C(=O)O)(C)C)C=C(C)C | 0.0041 |
| FDBF04758 | [(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] (1R)-2,2-dimethylcyclopropane-1-carboxylate |
|
C1=C([C@H](CC1=O)OC(=O)[C@H]1C(C1)(C)C)C | 0.0034 |
| FDBF04759 | [(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl] (1R)-2,2-dimethylcyclopropane-1-carboxylate |
|
CC1=C([C@H](CC1=O)OC(=O)[C@H]1C(C1)(C)C)C | 0.0031 |
| FDBF04821 | 3-methylcyclopenta-2,4-dien-1-one |
|
C1=CC(=O)C=C1C | 0.0007 |
| FDBF05117 | 2,3-dimethylcyclopenta-2,4-dien-1-one |
|
CC1=C(C=CC1=O)C | 0.0003 |
| FDBF05118 | 2-(furan-2-ylmethyl)-3-methylcyclopenta-2,4-dien-1-one |
|
C(C1=C(C=CC1=O)C)c1occc1 | 0.0003 |
10 ,
2
