1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate

C100H109N3O43 — CID 159195028

IUPAC1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate
SMILESC=C1CC(=O)C(OC(=O)/C=C/C(=O)O)C1.C=C1CC(=O)C(OC(=O)/C=C/C(=O)OC2CC(=O)NC2=O)C1.C=C1CC(=O)C(OC(=O)/C=C/C(=O)OCCCCN2CCOCC2)C1.C=C1CC(=O)C(OC(=O)/C=C/C(=O)OCOC(=O)C(C)C)C1.C=C1CC(=O)C(OC(=O)/C=C/C(=O)OCc2ccccc2)C1.C=C1CC(=O)C(OC(=O)/C=C/C(=O)OCc2oc(=O)oc2C)C1.C=C1CC(OC(=O)/C=C/C(=O)OC)C(=O)N1C
InChIInChI=1S/C18H25NO6.C17H16O5.C15H14O8.C15H18O7.C14H13NO7.C11H13NO5.C10H10O5/c1-14-12-15(20)16(13-14)25-18(22)5-4-17(21)24-9-3-2-6-19-7-10-23-11-8-19;1-12-9-14(18)15(10-12)22-17(20)8-7-16(19)21-11-13-5-3-2-4-6-13;1-8-5-10(16)11(6-8)22-14(18)4-3-13(17)20-7-12-9(2)21-15(19)23-12;1-9(2)15(19)21-8-20-13(17)4-5-14(18)22-12-7-10(3)6-11(12)16;1-7-4-8(16)9(5-7)21-12(18)2-3-13(19)22-10-6-11(17)15-14(10)20;1-7-6-8(11(15)12(7)2)17-10(14)5-4-9(13)16-3;1-6-4-7(11)8(5-6)15-10(14)3-2-9(12)13/h4-5,16H,1-3,6-13H2;2-8,15H,1,9-11H2;3-4,11H,1,5-7H2,2H3;4-5,9,12H,3,6-8H2,1-2H3;2-3,9-10H,1,4-6H2,(H,15,17,20);4-5,8H,1,6H2,2-3H3;2-3,8H,1,4-5H2,(H,12,13)/b5-4+;8-7+;4-3+;5-4+;3-2+;5-4+;3-2+
InChIKeyKOOCPZNLNYRECR-WHDFZZDFSA-N
MW2040.95 g/mol
LogP4.98
Rot. Bonds34

About 1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate

1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate (PubChem CID 159195028) has the molecular formula C100H109N3O43 and a molecular weight of 2040.95 g/mol. Its IUPAC name is 1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate.

Molecular Properties

Compound Name1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate
PubChem CID159195028
Molecular FormulaC100H109N3O43
Molecular Weight2040.95 g/mol
Exact Mass2039.64
IUPAC Name1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate
SMILESC=C1CC(=O)C(OC(=O)/C=C/C(=O)O)C1.C=C1CC(=O)C(OC(=O)/C=C/C(=O)OC2CC(=O)NC2=O)C1.C=C1CC(=O)C(OC(=O)/C=C/C(=O)OCCCCN2CCOCC2)C1.C=C1CC(=O)C(OC(=O)/C=C/C(=O)OCOC(=O)C(C)C)C1.C=C1CC(=O)C(OC(=O)/C=C/C(=O)OCc2ccccc2)C1.C=C1CC(=O)C(OC(=O)/C=C/C(=O)OCc2oc(=O)oc2C)C1.C=C1CC(OC(=O)/C=C/C(=O)OC)C(=O)N1C
InChIInChI=1S/C18H25NO6.C17H16O5.C15H14O8.C15H18O7.C14H13NO7.C11H13NO5.C10H10O5/c1-14-12-15(20)16(13-14)25-18(22)5-4-17(21)24-9-3-2-6-19-7-10-23-11-8-19;1-12-9-14(18)15(10-12)22-17(20)8-7-16(19)21-11-13-5-3-2-4-6-13;1-8-5-10(16)11(6-8)22-14(18)4-3-13(17)20-7-12-9(2)21-15(19)23-12;1-9(2)15(19)21-8-20-13(17)4-5-14(18)22-12-7-10(3)6-11(12)16;1-7-4-8(16)9(5-7)21-12(18)2-3-13(19)22-10-6-11(17)15-14(10)20;1-7-6-8(11(15)12(7)2)17-10(14)5-4-9(13)16-3;1-6-4-7(11)8(5-6)15-10(14)3-2-9(12)13/h4-5,16H,1-3,6-13H2;2-8,15H,1,9-11H2;3-4,11H,1,5-7H2,2H3;4-5,9,12H,3,6-8H2,1-2H3;2-3,9-10H,1,4-6H2,(H,15,17,20);4-5,8H,1,6H2,2-3H3;2-3,8H,1,4-5H2,(H,12,13)/b5-4+;8-7+;4-3+;5-4+;3-2+;5-4+;3-2+
InChIKeyKOOCPZNLNYRECR-WHDFZZDFSA-N
XLogP4.98
TPSA630.22 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds34
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002040.95
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate with MolForge

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Related Compounds

1-O-benzyl 4-O-(2-oxopyrrolidin-3-yl) (E)-but-2-enedioate;4-O-tert-butyl 1-O-(2-oxopyrrolidin-3-yl) (E)-but-2-enedioate;1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] 4-O-(2-oxopyrrolidin-3-yl) (E)-but-2-enedioate;1-O-(2-methylpropanoyloxymethyl) 4-O-(2-oxopyrrolidin-3-yl) (E)-but-2-enedioate;1-O-(4-morpholin-4-ylbutyl) 4-O-(2-oxopyrrolidin-3-yl) (E)-but-2-enedioate;1-O-(2-oxopyrrolidin-3-yl) 4-O-phenyl (E)-but-2-enedioate
CID 158392292
1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate
CID 159195032
1-O-benzyl 4-O-[2-[[(E)-4-oxo-4-phenylmethoxybut-2-enoyl]oxymethyl]-4-piperidin-1-ylbutyl] (E)-but-2-enedioate;4-O-[2-(hydroxymethyl)-4-piperidin-1-ylbutyl] 1-O-methyl (E)-but-2-enedioate;methane;4-O-[2-[[(E)-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-4-oxobut-2-enoyl]oxymethyl]-4-piperidin-1-ylbutyl] 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-[2-[[(E)-4-(2-morpholin-4-ylethoxy)-4-oxobut-2-enoyl]oxymethyl]-4-piperidin-1-ylbutyl] 1-O-(2-morpholin-4-ylethyl) (E)-but-2-enedioate;1-O-[2-[[(E)-4-oxo-4-phenoxybut-2-enoyl]oxymethyl]-4-piperidin-1-ylbutyl] 4-O-phenyl (E)-but-2-enedioate
CID 162118012
4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate
CID 122482406
1-O-(4-morpholin-4-ylbutyl) 4-O-(2-oxocyclopentyl) (E)-but-2-enedioate
CID 158145406
(E)-4-(4-morpholin-4-ylbutoxy)-4-oxobut-2-enoic acid
CID 71711598
(E)-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-4-oxobut-2-enoic acid
CID 122499741
4-O-[2-[(E)-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-4-oxobut-2-enoyl]oxy-3-morpholin-4-ylpropyl] 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate
CID 122436485
4-(8-morpholin-4-yloctoxy)-4-oxobut-2-enoic acid
CID 154097579
4-O-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl] 1-O-methyl (E)-but-2-enedioate
CID 122482294
2-morpholin-4-ylethyl 2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylsulfanyl]propanoylamino]acetate
CID 129126839
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 3,3-dimethylbutanoate;2-morpholin-4-ylethyl 3,3-dimethylbutanoate
CID 157052717

Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate?
The IUPAC name of 1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate (CID 159195028) is 1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate.
What is the SMILES notation for 1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate?
The canonical SMILES for 1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate is C=C1CC(=O)C(OC(=O)/C=C/C(=O)O)C1.C=C1CC(=O)C(OC(=O)/C=C/C(=O)OC2CC(=O)NC2=O)C1.C=C1CC(=O)C(OC(=O)/C=C/C(=O)OCCCCN2CCOCC2)C1.C=C1CC(=O)C(OC(=O)/C=C/C(=O)OCOC(=O)C(C)C)C1.C=C1CC(=O)C(OC(=O)/C=C/C(=O)OCc2ccccc2)C1.C=C1CC(=O)C(OC(=O)/C=C/C(=O)OCc2oc(=O)oc2C)C1.C=C1CC(OC(=O)/C=C/C(=O)OC)C(=O)N1C.
What is the InChIKey of 1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate?
The InChIKey is KOOCPZNLNYRECR-WHDFZZDFSA-N. The full InChI is InChI=1S/C18H25NO6.C17H16O5.C15H14O8.C15H18O7.C14H13NO7.C11H13NO5.C10H10O5/c1-14-12-15(20)16(13-14)25-18(22)5-4-17(21)24-9-3-2-6-19-7-10-23-11-8-19;1-12-9-14(18)15(10-12)22-17(20)8-7-16(19)21-11-13-5-3-2-4-6-13;1-8-5-10(16)11(6-8)22-14(18)4-3-13(17)20-7-12-9(2)21-15(19)23-12;1-9(2)15(19)21-8-20-13(17)4-5-14(18)22-12-7-10(3)6-11(12)16;1-7-4-8(16)9(5-7)21-12(18)2-3-13(19)22-10-6-11(17)15-14(10)20;1-7-6-8(11(15)12(7)2)17-10(14)5-4-9(13)16-3;1-6-4-7(11)8(5-6)15-10(14)3-2-9(12)13/h4-5,16H,1-3,6-13H2;2-8,15H,1,9-11H2;3-4,11H,1,5-7H2,2H3;4-5,9,12H,3,6-8H2,1-2H3;2-3,9-10H,1,4-6H2,(H,15,17,20);4-5,8H,1,6H2,2-3H3;2-3,8H,1,4-5H2,(H,12,13)/b5-4+;8-7+;4-3+;5-4+;3-2+;5-4+;3-2+.
What are the key properties of 1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate?
1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate has a molecular weight of 2040.95 g/mol, XLogP of 4.98, 34 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 4-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-(4-methylidene-2-oxocyclopentyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate;4-O-(4-methylidene-2-oxocyclopentyl) 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate;(E)-4-(4-methylidene-2-oxocyclopentyl)oxy-4-oxobut-2-enoic acid;1-O-methyl 4-O-(1-methyl-5-methylidene-2-oxopyrrolidin-3-yl) (E)-but-2-enedioate is sourced from PubChem (CID 159195028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).