7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one

C108H129N13O14 — CID 158223143

IUPAC7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one
SMILESC=C1CCC(C2N=Cc3cc(C(C)(C)C)ccc3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3ccc(C(C)(C)C)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(C(C)(C)C)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(cccc3C(C)(C)C)C2=O)C(=O)N1.C=C1CCC(n2nc(-c3ccc(C(C)(C)C)cc3)n(C)c2=O)C(=O)N1.C=C1CCC(n2ncc(C(C)(C)C)cc2=O)C(=O)C1
InChIInChI=1S/C20H23NO2.C19H24N4O2.2C18H20N2O3.C18H22N2O2.C15H20N2O2/c1-12-5-7-16(17(22)9-12)18-19(23)15-8-6-14(20(2,3)4)10-13(15)11-21-18;1-12-6-11-15(17(24)20-12)23-18(25)22(5)16(21-23)13-7-9-14(10-8-13)19(2,3)4;1-10-5-8-14(15(21)19-10)20-16(22)12-7-6-11(18(2,3)4)9-13(12)17(20)23;1-10-8-9-13(15(21)19-10)20-16(22)11-6-5-7-12(18(2,3)4)14(11)17(20)23;1-11-8-9-15(16(21)19-11)20-10-13-12(17(20)22)6-5-7-14(13)18(2,3)4;1-10-5-6-12(13(18)7-10)17-14(19)8-11(9-16-17)15(2,3)4/h6,8,10-11,16,18H,1,5,7,9H2,2-4H3;7-10,15H,1,6,11H2,2-5H3,(H,20,24);6-7,9,14H,1,5,8H2,2-4H3,(H,19,21);5-7,13H,1,8-9H2,2-4H3,(H,19,21);5-7,15H,1,8-10H2,2-4H3,(H,19,21);8-9,12H,1,5-7H2,2-4H3
InChIKeyGDMICNFRQCBWBX-UHFFFAOYSA-N
MW1833.30 g/mol
LogP16.27
Rot. Bonds7

About 7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one

7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one (PubChem CID 158223143) has the molecular formula C108H129N13O14 and a molecular weight of 1833.30 g/mol. Its IUPAC name is 7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one
PubChem CID158223143
Molecular FormulaC108H129N13O14
Molecular Weight1833.30 g/mol
Exact Mass1831.98
IUPAC Name7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one
SMILESC=C1CCC(C2N=Cc3cc(C(C)(C)C)ccc3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3ccc(C(C)(C)C)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(C(C)(C)C)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(cccc3C(C)(C)C)C2=O)C(=O)N1.C=C1CCC(n2nc(-c3ccc(C(C)(C)C)cc3)n(C)c2=O)C(=O)N1.C=C1CCC(n2ncc(C(C)(C)C)cc2=O)C(=O)C1
InChIInChI=1S/C20H23NO2.C19H24N4O2.2C18H20N2O3.C18H22N2O2.C15H20N2O2/c1-12-5-7-16(17(22)9-12)18-19(23)15-8-6-14(20(2,3)4)10-13(15)11-21-18;1-12-6-11-15(17(24)20-12)23-18(25)22(5)16(21-23)13-7-9-14(10-8-13)19(2,3)4;1-10-5-8-14(15(21)19-10)20-16(22)12-7-6-11(18(2,3)4)9-13(12)17(20)23;1-10-8-9-13(15(21)19-10)20-16(22)11-6-5-7-12(18(2,3)4)14(11)17(20)23;1-11-8-9-15(16(21)19-11)20-10-13-12(17(20)22)6-5-7-14(13)18(2,3)4;1-10-5-6-12(13(18)7-10)17-14(19)8-11(9-16-17)15(2,3)4/h6,8,10-11,16,18H,1,5,7,9H2,2-4H3;7-10,15H,1,6,11H2,2-5H3,(H,20,24);6-7,9,14H,1,5,8H2,2-4H3,(H,19,21);5-7,13H,1,8-9H2,2-4H3,(H,19,21);5-7,15H,1,8-10H2,2-4H3,(H,19,21);8-9,12H,1,5-7H2,2-4H3
InChIKeyGDMICNFRQCBWBX-UHFFFAOYSA-N
XLogP16.27
TPSA349.75 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001833.30
LogP ≤ 516.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one with MolForge

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Related Compounds

4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoquinolin-1-one;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)pyridazin-3-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one
CID 160718203
4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane
CID 165070721
5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one
CID 157157428
4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134488749
5-tert-butyl-4-chloro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 158005992
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane
CID 157370430
(4S)-4-(6-tert-butyl-5-fluoro-3-oxo-1H-isoindol-2-yl)cyclohexane-1,3-dione;4-(5-tert-butyl-6-fluoro-3-oxo-1H-isoindol-2-yl)cyclohexane-1,3-dione;4-(6-tert-butyl-5-fluoro-3-oxo-1H-isoindol-2-yl)cyclohexane-1,3-dione;(4S)-4-(6-tert-butyl-3-oxo-1H-isoindol-2-yl)cyclohexane-1,3-dione;4-(5-tert-butyl-3-oxo-1H-isoindol-2-yl)cyclohexane-1,3-dione;4-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)cyclohexane-1,3-dione;methane
CID 158282563
4-tert-butyl-2-(2,7-dioxoazepan-3-yl)isoindole-1,3-dione
CID 138628553
4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione
CID 167675931
5-tert-butyl-6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 157204603
3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one
CID 164983292

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one?
The IUPAC name of 7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one (CID 158223143) is 7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one.
What is the SMILES notation for 7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one?
The canonical SMILES for 7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one is C=C1CCC(C2N=Cc3cc(C(C)(C)C)ccc3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3ccc(C(C)(C)C)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(C(C)(C)C)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(cccc3C(C)(C)C)C2=O)C(=O)N1.C=C1CCC(n2nc(-c3ccc(C(C)(C)C)cc3)n(C)c2=O)C(=O)N1.C=C1CCC(n2ncc(C(C)(C)C)cc2=O)C(=O)C1.
What is the InChIKey of 7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one?
The InChIKey is GDMICNFRQCBWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.C19H24N4O2.2C18H20N2O3.C18H22N2O2.C15H20N2O2/c1-12-5-7-16(17(22)9-12)18-19(23)15-8-6-14(20(2,3)4)10-13(15)11-21-18;1-12-6-11-15(17(24)20-12)23-18(25)22(5)16(21-23)13-7-9-14(10-8-13)19(2,3)4;1-10-5-8-14(15(21)19-10)20-16(22)12-7-6-11(18(2,3)4)9-13(12)17(20)23;1-10-8-9-13(15(21)19-10)20-16(22)11-6-5-7-12(18(2,3)4)14(11)17(20)23;1-11-8-9-15(16(21)19-11)20-10-13-12(17(20)22)6-5-7-14(13)18(2,3)4;1-10-5-6-12(13(18)7-10)17-14(19)8-11(9-16-17)15(2,3)4/h6,8,10-11,16,18H,1,5,7,9H2,2-4H3;7-10,15H,1,6,11H2,2-5H3,(H,20,24);6-7,9,14H,1,5,8H2,2-4H3,(H,19,21);5-7,13H,1,8-9H2,2-4H3,(H,19,21);5-7,15H,1,8-10H2,2-4H3,(H,19,21);8-9,12H,1,5-7H2,2-4H3.
What are the key properties of 7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one?
7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one has a molecular weight of 1833.30 g/mol, XLogP of 16.27, 7 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-(4-methylidene-2-oxocyclohexyl)-3H-isoquinolin-4-one;5-tert-butyl-2-(4-methylidene-2-oxocyclohexyl)pyridazin-3-one;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[3-(4-tert-butylphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-6-methylidenepiperidin-2-one is sourced from PubChem (CID 158223143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).