Responsive image

Common name

[(2S,4R,5R)-5-vinylquinuclidin-2-yl]methanol

IUPAC name

[(2S,4R,5R)-5-vinylquinuclidin-2-yl]methanol

SMILES

C(O)C1CC2CCN1CC2C=C

Common name

[(2S,4R,5R)-5-vinylquinuclidin-2-yl]methanol

IUPAC name

[(2S,4R,5R)-5-vinylquinuclidin-2-yl]methanol

SMILES

C(O)C1CC2CCN1CC2C=C

INCHI

InChI=1S/C10H17NO/c1-2-8-6-11-4-3-9(8)5-10(11)7-12/h2,8-10,12H,1,3-7H2/t8-,9+,10-/m0/s1

FORMULA

C10H17NO

Responsive image

Common name

[(2S,4R,5R)-5-vinylquinuclidin-2-yl]methanol

IUPAC name

[(2S,4R,5R)-5-vinylquinuclidin-2-yl]methanol





Molecular weight

167.248

clogP

1.222

clogS

-0.732

Frequency

0.0003





HBond Acceptor

2

HBond Donor

1

Total Polar
Surface Area

23.47

Number of Rings

2

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01146 Quinidine barbiturate Responsive image ;
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4uin_ligand_2_1.mol2 4uin 1 -6.44 C(O)[C@H]1[N@H+]2CC[C@H]([C@H](C2)C=C)C1 12
4uil_ligand_2_1.mol2 4uil 1 -6.19 C(=C)[C@@H]1[C@H]2CC[N@H+]([C@H](CO)C2)C1 12
4uin_ligand_1_0.mol2 4uin 0.731707 -6.10 C(O)[C@H]1[N@H+]2CC[C@H](CC2)C1 10
4uil_ligand_1_0.mol2 4uil 0.731707 -5.83 C(O)[C@H]1[N@H+]2CC[C@H](CC2)C1 10
3cib_ligand_4_701.mol2 3cib 0.714286 -6.93 C[C@@H]1C[C@@H]([NH2+]CC1)[C@@H](O)CC 11
3cib_ligand_3_271.mol2 3cib 0.714286 -6.79 C[C@@H]1C[C@@H]([NH2+]CC1)[C@H](C)O 10
2qp8_ligand_3_266.mol2 2qp8 0.714286 -6.74 [C@@H]1(CCCC[NH2+]1)[C@H](CC)O 10
3cib_ligand_3_266.mol2 3cib 0.714286 -6.69 C(C)[C@@H]([C@H]1CCCC[NH2+]1)O 10
2qp8_ligand_2_64.mol2 2qp8 0.714286 -6.59 [C@@H]1(CCCC[NH2+]1)[C@H](C)O 9
3cib_ligand_2_64.mol2 3cib 0.714286 -6.55 [C@@H]1(CCCC[NH2+]1)[C@H](C)O 9
105 , 11