Common name
1,1-dimethyl-2,3,4,5-tetrahydropyrrole
IUPAC name
1,1-dimethyl-2,3,4,5-tetrahydropyrrole
SMILES
C[N]1(CCCC1)C
Common name
1,1-dimethyl-2,3,4,5-tetrahydropyrrole
IUPAC name
1,1-dimethyl-2,3,4,5-tetrahydropyrrole
SMILES
C[N]1(CCCC1)C
INCHI
InChI=1S/C6H14N/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3
FORMULA
C6H14N
Common name
1,1-dimethyl-2,3,4,5-tetrahydropyrrole
IUPAC name
1,1-dimethyl-2,3,4,5-tetrahydropyrrole
Molecular weight
100.182
clogP
-1.302
clogS
-1.740
Frequency
0.0007
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00940 | Pentolinium |
|
Antihypertensive Agents; Nicotinic Antagonists; Ganglionic Blockers; | Used to produce controlled hypotension during surgical procedures and in hypertensive crises. |
| FDBD01189 | Cefepime |
|
Anti-Bacterial Agents; Cephalosporins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Fourth-Generation Cephalosporins; | For the treatment of pneumonia (moderate to severe) caused by . |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bg1_ligand_1_1.mol2 | 4bg1 | 1 | -6.37 | C1CCC[N+]1(C)C | 7 |
| 1uw6_ligand_frag_1.mol2 | 1uw6 | 1 | -6.26 | [NH+]1(CCCC1)C | 6 |
| 2yk1_ligand_frag_1.mol2 | 2yk1 | 1 | -6.26 | [NH+]1(CCCC1)C | 6 |
| 4nvq_ligand_1_0.mol2 | 4nvq | 1 | -6.21 | [NH+]1(CCCC1)C | 6 |
| 4bg1_ligand_frag_0.mol2 | 4bg1 | 1 | -6.20 | C1CCC[NH+]1C | 6 |
| 5am0_ligand_frag_1.mol2 | 5am0 | 1 | -6.14 | C1CCC[NH+]1C | 6 |
| 2y5f_ligand_2_18.mol2 | 2y5f | 1 | -6.13 | C[N+]1(C)CCCC1 | 7 |
| 3fuj_ligand_1_0.mol2 | 3fuj | 1 | -6.12 | C1CCC[NH+]1C | 6 |
| 3fh8_ligand_1_0.mol2 | 3fh8 | 1 | -6.11 | C[NH+]1CCCC1 | 6 |
101 ,
11
