3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one

C191H226N10O19 — CID 172966023

IUPAC3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one
SMILESC=C(c1ccc(C2=C(O)CCC2=O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CC(C)=C(c1ccc(C2=C(O)CCC2=O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/N)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)OCCCO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)OCCO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)CCC2(C)C
InChIInChI=1S/C29H35NO4.C29H35NO2.C28H33NO4.C27H31NO2.C26H31N3O2.C26H30N2O3.C26H31NO2/c1-18-15-21-22(28(4,5)12-11-27(21,2)3)16-20(18)29(33-13-6-14-34-29)25-10-7-19(17-30-25)26-23(31)8-9-24(26)32;1-17(2)26(23-9-8-19(16-30-23)27-24(31)10-11-25(27)32)20-15-22-21(14-18(20)3)28(4,5)12-13-29(22,6)7;1-17-14-20-21(27(4,5)11-10-26(20,2)3)15-19(17)28(32-12-13-33-28)24-9-6-18(16-29-24)25-22(30)7-8-23(25)31;1-16-13-20-21(27(5,6)12-11-26(20,3)4)14-19(16)17(2)22-8-7-18(15-28-22)25-23(29)9-10-24(25)30;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(29-27)20-7-6-16(14-28-20)23-21(30)8-9-22(23)31;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(28-31)20-7-6-16(14-27-20)23-21(29)8-9-22(23)30;1-16-12-20-21(26(4,5)11-10-25(20,2)3)14-18(16)13-19-7-6-17(15-27-19)24-22(28)8-9-23(24)29/h7,10,15-17,31H,6,8-9,11-14H2,1-5H3;8-9,14-16,31H,10-13H2,1-7H3;6,9,14-16,30H,7-8,10-13H2,1-5H3;7-8,13-15,29H,2,9-12H2,1,3-6H3;6-7,12-14,30H,8-11,27H2,1-5H3;6-7,12-14,29,31H,8-11H2,1-5H3;6-7,12,14-15,28H,8-11,13H2,1-5H3/b;;;;29-24-;28-24-;
InChIKeyGAAGLTKTKOCNEH-RIAVYQBYSA-N
MW2965.96 g/mol
LogP41.91
Rot. Bonds21

About 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one

3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one (PubChem CID 172966023) has the molecular formula C191H226N10O19 and a molecular weight of 2965.96 g/mol. Its IUPAC name is 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one
PubChem CID172966023
Molecular FormulaC191H226N10O19
Molecular Weight2965.96 g/mol
Exact Mass2963.70
IUPAC Name3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one
SMILESC=C(c1ccc(C2=C(O)CCC2=O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CC(C)=C(c1ccc(C2=C(O)CCC2=O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/N)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)OCCCO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)OCCO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)CCC2(C)C
InChIInChI=1S/C29H35NO4.C29H35NO2.C28H33NO4.C27H31NO2.C26H31N3O2.C26H30N2O3.C26H31NO2/c1-18-15-21-22(28(4,5)12-11-27(21,2)3)16-20(18)29(33-13-6-14-34-29)25-10-7-19(17-30-25)26-23(31)8-9-24(26)32;1-17(2)26(23-9-8-19(16-30-23)27-24(31)10-11-25(27)32)20-15-22-21(14-18(20)3)28(4,5)12-13-29(22,6)7;1-17-14-20-21(27(4,5)11-10-26(20,2)3)15-19(17)28(32-12-13-33-28)24-9-6-18(16-29-24)25-22(30)7-8-23(25)31;1-16-13-20-21(27(5,6)12-11-26(20,3)4)14-19(16)17(2)22-8-7-18(15-28-22)25-23(29)9-10-24(25)30;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(29-27)20-7-6-16(14-28-20)23-21(30)8-9-22(23)31;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(28-31)20-7-6-16(14-27-20)23-21(29)8-9-22(23)30;1-16-12-20-21(26(4,5)11-10-25(20,2)3)14-18(16)13-19-7-6-17(15-27-19)24-22(28)8-9-23(24)29/h7,10,15-17,31H,6,8-9,11-14H2,1-5H3;8-9,14-16,31H,10-13H2,1-7H3;6,9,14-16,30H,7-8,10-13H2,1-5H3;7-8,13-15,29H,2,9-12H2,1,3-6H3;6-7,12-14,30H,8-11,27H2,1-5H3;6-7,12-14,29,31H,8-11H2,1-5H3;6-7,12,14-15,28H,8-11,13H2,1-5H3/b;;;;29-24-;28-24-;
InChIKeyGAAGLTKTKOCNEH-RIAVYQBYSA-N
XLogP41.91
TPSA459.22 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002965.96
LogP ≤ 541.91
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one?
The IUPAC name of 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one (CID 172966023) is 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one is C=C(c1ccc(C2=C(O)CCC2=O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CC(C)=C(c1ccc(C2=C(O)CCC2=O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/N)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)OCCCO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cn3)OCCO1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)CCC2(C)C.
What is the InChIKey of 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one?
The InChIKey is GAAGLTKTKOCNEH-RIAVYQBYSA-N. The full InChI is InChI=1S/C29H35NO4.C29H35NO2.C28H33NO4.C27H31NO2.C26H31N3O2.C26H30N2O3.C26H31NO2/c1-18-15-21-22(28(4,5)12-11-27(21,2)3)16-20(18)29(33-13-6-14-34-29)25-10-7-19(17-30-25)26-23(31)8-9-24(26)32;1-17(2)26(23-9-8-19(16-30-23)27-24(31)10-11-25(27)32)20-15-22-21(14-18(20)3)28(4,5)12-13-29(22,6)7;1-17-14-20-21(27(4,5)11-10-26(20,2)3)15-19(17)28(32-12-13-33-28)24-9-6-18(16-29-24)25-22(30)7-8-23(25)31;1-16-13-20-21(27(5,6)12-11-26(20,3)4)14-19(16)17(2)22-8-7-18(15-28-22)25-23(29)9-10-24(25)30;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(29-27)20-7-6-16(14-28-20)23-21(30)8-9-22(23)31;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(28-31)20-7-6-16(14-27-20)23-21(29)8-9-22(23)30;1-16-12-20-21(26(4,5)11-10-25(20,2)3)14-18(16)13-19-7-6-17(15-27-19)24-22(28)8-9-23(24)29/h7,10,15-17,31H,6,8-9,11-14H2,1-5H3;8-9,14-16,31H,10-13H2,1-7H3;6,9,14-16,30H,7-8,10-13H2,1-5H3;7-8,13-15,29H,2,9-12H2,1,3-6H3;6-7,12-14,30H,8-11,27H2,1-5H3;6-7,12-14,29,31H,8-11H2,1-5H3;6-7,12,14-15,28H,8-11,13H2,1-5H3/b;;;;29-24-;28-24-;.
What are the key properties of 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one?
3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one has a molecular weight of 2965.96 g/mol, XLogP of 41.91, 21 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[6-[(Z)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(Z)-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinyl]cyclopent-2-en-1-one is sourced from PubChem (CID 172966023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).