Responsive image

Common name

(2R)-1-allyl-2-methyl-pyrrolidine

IUPAC name

(2R)-1-allyl-2-methyl-pyrrolidine

SMILES

N1(C(CCC1)C)CC=C

Common name

(2R)-1-allyl-2-methyl-pyrrolidine

IUPAC name

(2R)-1-allyl-2-methyl-pyrrolidine

SMILES

N1(C(CCC1)C)CC=C

INCHI

InChI=1S/C8H15N/c1-3-6-9-7-4-5-8(9)2/h3,8H,1,4-7H2,2H3/t8-/m1/s1

FORMULA

C8H15N

Responsive image

Common name

(2R)-1-allyl-2-methyl-pyrrolidine

IUPAC name

(2R)-1-allyl-2-methyl-pyrrolidine





Molecular weight

125.211

clogP

1.746

clogS

-1.290

Frequency

0.0003





HBond Acceptor

1

HBond Donor

0

Total Polar
Surface Area

3.24

Number of Rings

1

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01200 Alizapride Responsive image Antiemetics; Prokinetic Agents; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Propulsives; Alizapride is used in the treatment of nausea and vomiting, including postoperative nausea and vomiting.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3fh7_ligand_3_52.mol2 3fh7 0.75 -6.78 C[C@@H]1CCC[N@@H+]1CC 8
2fxr_ligand_2_45.mol2 2fxr 0.75 -6.59 [C@H]1(CC[NH2+]C1)CC 7
2fs8_ligand_2_45.mol2 2fs8 0.75 -6.43 C(C)[C@@H]1CC[NH2+]C1 7
3fh7_ligand_2_22.mol2 3fh7 0.708333 -6.47 C[C@@H]1CCC[N@@H+]1C 7
1o0d_ligand_1_1.mol2 1o0d 0.708333 -6.19 C1[N@H+]([C@H](CC1)C)C 7
2qu6_ligand_1_7.mol2 2qu6 0.708333 -5.93 [N@H+]1(CCC[C@H]1C)C 7
4mds_ligand_1_4.mol2 4mds 0.708333 -5.78 C[C@H]1CCC[N@@H+]1C 7
1szm_ligand_1_0.mol2 1szm 0.708333 -5.67 C[C@H]1[N@@H+](C)CCC1 7
120 , 13