Responsive image

Common name

methyl (E)-pent-2-enoate

IUPAC name

methyl (E)-pent-2-enoate

SMILES

CCC=CC(=O)OC

Common name

methyl (E)-pent-2-enoate

IUPAC name

methyl (E)-pent-2-enoate

SMILES

CCC=CC(=O)OC

INCHI

InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h4-5H,3H2,1-2H3/b5-4+

FORMULA

C6H10O2

Responsive image

Common name

methyl (E)-pent-2-enoate

IUPAC name

methyl (E)-pent-2-enoate





Molecular weight

114.142

clogP

0.899

clogS

-0.781

Frequency

0.0003





HBond Acceptor

2

HBond Donor

0

Total Polar
Surface Area

26.3

Number of Rings

0

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01594 Gemeprost Responsive image Prostaglandins; Genito Urinary System and Sex Hormones; Uterotonics;
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1jzs_ligand_2_5.mol2 1jzs 0.791667 -5.94 C(=O)(OC)C=C(C)C 8
5d1w_ligand_3_0.mol2 5d1w 0.75 -6.38 CC/C=C/C(=O)O 7
4tkb_ligand_3_0.mol2 4tkb 0.75 -6.17 CC/C=C/C(=O)O 7
4tkh_ligand_3_0.mol2 4tkh 0.75 -6.17 C(=C\C(=O)O)/CC 7
1hmt_ligand_3_0.mol2 1hmt 0.75 -6.12 C(=O)(O)/C=C/CC 7
1jzs_ligand_1_6.mol2 1jzs 0.75 -5.77 C(=O)(OC)/C=C\C 7
100 , 11