(2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one

C167H141N11O28 — CID 159709020

IUPAC(2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CC[C@@H](c2coc3ccc4c(c23)OCO4)C(=O)N1.C=C1CC[C@@H](c2coc3ccc4ccccc4c23)C(=O)N1.C=C1CC[C@@H](c2coc3ccc4ncccc4c23)C(=O)N1.C=C1CC[C@@H](c2coc3ccc4oc(C)cc4c23)C(=O)N1.C=C1CC[C@@H](c2coc3ccc4occc4c23)C(=O)N1.C=C1CC[C@H](c2coc3ccc4c(c23)OCO4)C(=O)N1.C=C1CC[C@H](c2coc3ccc4ccccc4c23)C(=O)C1.C=C1CC[C@H](c2coc3ccc4ncccc4c23)C(=O)N1.C=C1CC[C@H](c2coc3ccc4oc(C)cc4c23)C(=O)N1.C=C1CC[C@H](c2coc3ccc4occc4c23)C(=O)N1
InChIInChI=1S/C19H16O2.C18H15NO2.2C17H14N2O2.2C17H15NO3.2C16H13NO3.2C15H13NO4/c1-12-6-8-15(17(20)10-12)16-11-21-18-9-7-13-4-2-3-5-14(13)19(16)18;1-11-6-8-14(18(20)19-11)15-10-21-16-9-7-12-4-2-3-5-13(12)17(15)16;2*1-10-4-5-11(17(20)19-10)13-9-21-15-7-6-14-12(16(13)15)3-2-8-18-14;2*1-9-3-4-11(17(19)18-9)13-8-20-15-6-5-14-12(16(13)15)7-10(2)21-14;2*1-9-2-3-10(16(18)17-9)12-8-20-14-5-4-13-11(15(12)14)6-7-19-13;2*1-8-2-3-9(15(17)16-8)10-6-18-11-4-5-12-14(13(10)11)20-7-19-12/h2-5,7,9,11,15H,1,6,8,10H2;2-5,7,9-10,14H,1,6,8H2,(H,19,20);2*2-3,6-9,11H,1,4-5H2,(H,19,20);2*5-8,11H,1,3-4H2,2H3,(H,18,19);2*4-8,10H,1-3H2,(H,17,18);2*4-6,9H,1-3,7H2,(H,16,17)/t15-;14-;4*11-;2*10-;2*9-/m1010101010/s1
InChIKeyMYPAHBSGAFHSQO-COYSBGLZSA-N
MW2750.01 g/mol
LogP36.75
Rot. Bonds10

About (2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one

(2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one (PubChem CID 159709020) has the molecular formula C167H141N11O28 and a molecular weight of 2750.01 g/mol. Its IUPAC name is (2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name(2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one
PubChem CID159709020
Molecular FormulaC167H141N11O28
Molecular Weight2750.01 g/mol
Exact Mass2747.99
IUPAC Name(2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CC[C@@H](c2coc3ccc4c(c23)OCO4)C(=O)N1.C=C1CC[C@@H](c2coc3ccc4ccccc4c23)C(=O)N1.C=C1CC[C@@H](c2coc3ccc4ncccc4c23)C(=O)N1.C=C1CC[C@@H](c2coc3ccc4oc(C)cc4c23)C(=O)N1.C=C1CC[C@@H](c2coc3ccc4occc4c23)C(=O)N1.C=C1CC[C@H](c2coc3ccc4c(c23)OCO4)C(=O)N1.C=C1CC[C@H](c2coc3ccc4ccccc4c23)C(=O)C1.C=C1CC[C@H](c2coc3ccc4ncccc4c23)C(=O)N1.C=C1CC[C@H](c2coc3ccc4oc(C)cc4c23)C(=O)N1.C=C1CC[C@H](c2coc3ccc4occc4c23)C(=O)N1
InChIInChI=1S/C19H16O2.C18H15NO2.2C17H14N2O2.2C17H15NO3.2C16H13NO3.2C15H13NO4/c1-12-6-8-15(17(20)10-12)16-11-21-18-9-7-13-4-2-3-5-14(13)19(16)18;1-11-6-8-14(18(20)19-11)15-10-21-16-9-7-12-4-2-3-5-13(12)17(15)16;2*1-10-4-5-11(17(20)19-10)13-9-21-15-7-6-14-12(16(13)15)3-2-8-18-14;2*1-9-3-4-11(17(19)18-9)13-8-20-15-6-5-14-12(16(13)15)7-10(2)21-14;2*1-9-2-3-10(16(18)17-9)12-8-20-14-5-4-13-11(15(12)14)6-7-19-13;2*1-8-2-3-9(15(17)16-8)10-6-18-11-4-5-12-14(13(10)11)20-7-19-12/h2-5,7,9,11,15H,1,6,8,10H2;2-5,7,9-10,14H,1,6,8H2,(H,19,20);2*2-3,6-9,11H,1,4-5H2,(H,19,20);2*5-8,11H,1,3-4H2,2H3,(H,18,19);2*4-8,10H,1-3H2,(H,17,18);2*4-6,9H,1-3,7H2,(H,16,17)/t15-;14-;4*11-;2*10-;2*9-/m1010101010/s1
InChIKeyMYPAHBSGAFHSQO-COYSBGLZSA-N
XLogP36.75
TPSA525.63 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002750.01
LogP ≤ 536.75
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one with MolForge

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Related Compounds

(3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
CID 157325135
(4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]piperidine-2,6-dione;(4S)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(4R)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione
CID 157375012
(3S)-3-furo[2,3-f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-g]quinolin-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-g]quinolin-3-ylpiperidine-2,6-dione;(3S)-3-(2-methylfuro[3,2-f]indazol-5-yl)piperidine-2,6-dione;(3R)-3-(2-methylfuro[3,2-f]indazol-5-yl)piperidine-2,6-dione
CID 158104087
(4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione
CID 158211483
1-Methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole
CID 158349192
3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;3-(5,6-dihydrofuro[3,2-f][1]benzofuran-3-yl)piperidine-2,6-dione;3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione;3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;3-furo[2,3-f][1]benzofuran-3-ylpiperidine-2,6-dione;3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;3-(2-methylfuro[2,3-f][1]benzofuran-7-yl)piperidine-2,6-dione;3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione
CID 159419790
4-(1,3-Benzodioxol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-(1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione
CID 160024665
(3S)-3-[(5R)-9-(1-benzofuran-2-yl)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one;(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-9-(6-methoxy-3-pyridinyl)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one;(3S)-3-[(5R)-9-[3-(dimethylamino)phenyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 160108808
2-Pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one
CID 160349004
CID 160369752
CID 160369752
tert-butyl 4-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxybutanoate;tert-butyl 4-[1-[(3S)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxybutanoate;(3R)-3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 160413818
2,8-Dimethylfuro[3,2-e][1]benzofuran;1-methylbenzo[e][1]benzofuran;1-methylfuro[3,2-e][1]benzofuran;1-methylfuro[3,2-f]quinoline;8-methylfuro[2,3-g][1,3]benzodioxole
CID 160877928

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one?
The IUPAC name of (2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one (CID 159709020) is (2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one.
What is the SMILES notation for (2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one?
The canonical SMILES for (2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one is C=C1CC[C@@H](c2coc3ccc4c(c23)OCO4)C(=O)N1.C=C1CC[C@@H](c2coc3ccc4ccccc4c23)C(=O)N1.C=C1CC[C@@H](c2coc3ccc4ncccc4c23)C(=O)N1.C=C1CC[C@@H](c2coc3ccc4oc(C)cc4c23)C(=O)N1.C=C1CC[C@@H](c2coc3ccc4occc4c23)C(=O)N1.C=C1CC[C@H](c2coc3ccc4c(c23)OCO4)C(=O)N1.C=C1CC[C@H](c2coc3ccc4ccccc4c23)C(=O)C1.C=C1CC[C@H](c2coc3ccc4ncccc4c23)C(=O)N1.C=C1CC[C@H](c2coc3ccc4oc(C)cc4c23)C(=O)N1.C=C1CC[C@H](c2coc3ccc4occc4c23)C(=O)N1.
What is the InChIKey of (2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one?
The InChIKey is MYPAHBSGAFHSQO-COYSBGLZSA-N. The full InChI is InChI=1S/C19H16O2.C18H15NO2.2C17H14N2O2.2C17H15NO3.2C16H13NO3.2C15H13NO4/c1-12-6-8-15(17(20)10-12)16-11-21-18-9-7-13-4-2-3-5-14(13)19(16)18;1-11-6-8-14(18(20)19-11)15-10-21-16-9-7-12-4-2-3-5-13(12)17(15)16;2*1-10-4-5-11(17(20)19-10)13-9-21-15-7-6-14-12(16(13)15)3-2-8-18-14;2*1-9-3-4-11(17(19)18-9)13-8-20-15-6-5-14-12(16(13)15)7-10(2)21-14;2*1-9-2-3-10(16(18)17-9)12-8-20-14-5-4-13-11(15(12)14)6-7-19-13;2*1-8-2-3-9(15(17)16-8)10-6-18-11-4-5-12-14(13(10)11)20-7-19-12/h2-5,7,9,11,15H,1,6,8,10H2;2-5,7,9-10,14H,1,6,8H2,(H,19,20);2*2-3,6-9,11H,1,4-5H2,(H,19,20);2*5-8,11H,1,3-4H2,2H3,(H,18,19);2*4-8,10H,1-3H2,(H,17,18);2*4-6,9H,1-3,7H2,(H,16,17)/t15-;14-;4*11-;2*10-;2*9-/m1010101010/s1.
What are the key properties of (2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one?
(2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one has a molecular weight of 2750.01 g/mol, XLogP of 36.75, 10 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzo[e][1]benzofuran-1-yl-5-methylidenecyclohexan-1-one;(3S)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[3,2-f]quinolin-1-yl-6-methylidenepiperidin-2-one;(3R)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3S)-3-furo[2,3-g][1,3]benzodioxol-8-yl-6-methylidenepiperidin-2-one;(3R)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one;(3S)-3-(2-methylfuro[3,2-e][1]benzofuran-8-yl)-6-methylidenepiperidin-2-one is sourced from PubChem (CID 159709020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).