IUPAC name
3-iodo-2-propyn-1-yl N-butylcarbamate
SMILES
CCCCNC(=O)OCC#CI
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
iodocarb
IUPAC name
3-iodo-2-propyn-1-yl N-butylcarbamate
SMILES
CCCCNC(=O)OCC#CI
INCHI
InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)
FORMULA
C8H12INO2
Common name
iodocarb
IUPAC name
3-iodo-2-propyn-1-yl N-butylcarbamate
Molecular weight
281.091
clogP
2.299
clogS
-2.175
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
41.82
Number of Rings
0
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00024 | N-methylformamide |
|
N(C=O)C | 0.0106 |
| FDBF01127 | methylcarbamic acid |
|
O=C(O)NC | 0.0199 |
| FDBF01131 | methyl N-methylcarbamate |
|
O(C(=O)NC)C | 0.0048 |
| FDBF01140 | methyl N-ethylcarbamate |
|
O(C(=O)NCC)C | 0.0017 |
| FDBF01800 | 1-iodoprop-1-yne |
|
CC#CI | 0.0007 |
| FDBF01801 | 3-iodoprop-2-yn-1-ol |
|
C(O)C#CI | 0.0007 |
| FDBF01802 | iodoacetylene |
|
IC#C | 0.0007 |
| FDBF04046 | butylcarbamic acid |
|
C(C)CCNC(=O)O | 0.0007 |
| FDBF07226 | 3-iodoprop-2-ynyl N-methylcarbamate |
|
CNC(=O)OCC#CI | 0.0003 |
13 ,
2
