1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione

C77H59N7O20 — CID 159909930

IUPAC1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C(CC1(O)C(=O)N(CN2C(=O)C(O)(CC(=C)C(=O)OC)c3ccccc32)c2ccccc21)C(=O)OC.C=C1CC2(OC1=O)C(=O)N(CN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12.O=C1C(=O)N(CN2C(=O)C(=O)c3ccccc32)c2ccccc21.O=C1Nc2ccccc2C1=O
InChIInChI=1S/C27H26N2O8.C25H18N2O6.C17H10N2O4.C8H5NO2/c1-16(22(30)36-3)13-26(34)18-9-5-7-11-20(18)28(24(26)32)15-29-21-12-8-6-10-19(21)27(35,25(29)33)14-17(2)23(31)37-4;1-14-11-24(32-20(14)28)16-7-3-5-9-18(16)26(22(24)30)13-27-19-10-6-4-8-17(19)25(23(27)31)12-15(2)21(29)33-25;20-14-10-5-1-3-7-12(10)18(16(14)22)9-19-13-8-4-2-6-11(13)15(21)17(19)23;10-7-5-3-1-2-4-6(5)9-8(7)11/h5-12,34-35H,1-2,13-15H2,3-4H3;3-10H,1-2,11-13H2;1-8H,9H2;1-4H,(H,9,10,11)
InChIKeyNXBFOKKQARAOCH-UHFFFAOYSA-N
MW1402.35 g/mol
LogP6.31
Rot. Bonds12

About 1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione

1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione (PubChem CID 159909930) has the molecular formula C77H59N7O20 and a molecular weight of 1402.35 g/mol. Its IUPAC name is 1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione
PubChem CID159909930
Molecular FormulaC77H59N7O20
Molecular Weight1402.35 g/mol
Exact Mass1401.38
IUPAC Name1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C(CC1(O)C(=O)N(CN2C(=O)C(O)(CC(=C)C(=O)OC)c3ccccc32)c2ccccc21)C(=O)OC.C=C1CC2(OC1=O)C(=O)N(CN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12.O=C1C(=O)N(CN2C(=O)C(=O)c3ccccc32)c2ccccc21.O=C1Nc2ccccc2C1=O
InChIInChI=1S/C27H26N2O8.C25H18N2O6.C17H10N2O4.C8H5NO2/c1-16(22(30)36-3)13-26(34)18-9-5-7-11-20(18)28(24(26)32)15-29-21-12-8-6-10-19(21)27(35,25(29)33)14-17(2)23(31)37-4;1-14-11-24(32-20(14)28)16-7-3-5-9-18(16)26(22(24)30)13-27-19-10-6-4-8-17(19)25(23(27)31)12-15(2)21(29)33-25;20-14-10-5-1-3-7-12(10)18(16(14)22)9-19-13-8-4-2-6-11(13)15(21)17(19)23;10-7-5-3-1-2-4-6(5)9-8(7)11/h5-12,34-35H,1-2,13-15H2,3-4H3;3-10H,1-2,11-13H2;1-8H,9H2;1-4H,(H,9,10,11)
InChIKeyNXBFOKKQARAOCH-UHFFFAOYSA-N
XLogP6.31
TPSA347.83 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001402.35
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione with MolForge

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Related Compounds

3'-methylidene-1-[(Z)-7-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)hept-4-enyl]spiro[indole-3,5'-oxolane]-2,2'-dione
CID 146201221
(3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one
CID 748064
1-benzyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 3150812
(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-prop-2-ynylindol-2-one
CID 796057
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 1313604
(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 1075376
methyl 2-[(3S)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate
CID 1079356
(3S)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-(piperidin-1-ylmethyl)indol-2-one
CID 1425972
(3R)-1-(azepan-1-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 1425987
1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one
CID 2908702
(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one
CID 7288185
4-[3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]butanenitrile
CID 2989913

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The IUPAC name of 1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione (CID 159909930) is 1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione.
What is the SMILES notation for 1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The canonical SMILES for 1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione is C=C(CC1(O)C(=O)N(CN2C(=O)C(O)(CC(=C)C(=O)OC)c3ccccc32)c2ccccc21)C(=O)OC.C=C1CC2(OC1=O)C(=O)N(CN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12.O=C1C(=O)N(CN2C(=O)C(=O)c3ccccc32)c2ccccc21.O=C1Nc2ccccc2C1=O.
What is the InChIKey of 1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The InChIKey is NXBFOKKQARAOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O8.C25H18N2O6.C17H10N2O4.C8H5NO2/c1-16(22(30)36-3)13-26(34)18-9-5-7-11-20(18)28(24(26)32)15-29-21-12-8-6-10-19(21)27(35,25(29)33)14-17(2)23(31)37-4;1-14-11-24(32-20(14)28)16-7-3-5-9-18(16)26(22(24)30)13-27-19-10-6-4-8-17(19)25(23(27)31)12-15(2)21(29)33-25;20-14-10-5-1-3-7-12(10)18(16(14)22)9-19-13-8-4-2-6-11(13)15(21)17(19)23;10-7-5-3-1-2-4-6(5)9-8(7)11/h5-12,34-35H,1-2,13-15H2,3-4H3;3-10H,1-2,11-13H2;1-8H,9H2;1-4H,(H,9,10,11).
What are the key properties of 1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione has a molecular weight of 1402.35 g/mol, XLogP of 6.31, 12 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dioxoindol-1-yl)methyl]indole-2,3-dione;1H-indole-2,3-dione;methyl 2-[[3-hydroxy-1-[[3-hydroxy-3-(2-methoxycarbonylprop-2-enyl)-2-oxoindol-1-yl]methyl]-2-oxoindol-3-yl]methyl]prop-2-enoate;3'-methylidene-1-[(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)methyl]spiro[indole-3,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 159909930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).