methyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate

C20H16N2O5 — CID 102496044

IUPACmethyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate
SMILESCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C20H16N2O5/c1-11-7-9-12(10-8-11)22-17(24)16(23)15(18(25)27-2)20(22)13-5-3-4-6-14(13)21-19(20)26/h3-10,23H,1-2H3,(H,21,26)
InChIKeyHKIXFRAXSORLSA-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.17
Rot. Bonds2

About methyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate

methyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate (PubChem CID 102496044) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is methyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate.

Molecular Properties

Compound Namemethyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate
PubChem CID102496044
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Namemethyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate
SMILESCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C20H16N2O5/c1-11-7-9-12(10-8-11)22-17(24)16(23)15(18(25)27-2)20(22)13-5-3-4-6-14(13)21-19(20)26/h3-10,23H,1-2H3,(H,21,26)
InChIKeyHKIXFRAXSORLSA-UHFFFAOYSA-N
XLogP2.17
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate?
The IUPAC name of methyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate (CID 102496044) is methyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate.
What is the SMILES notation for methyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate?
The canonical SMILES for methyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate is COC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C12C(=O)Nc1ccccc12.
What is the InChIKey of methyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate?
The InChIKey is HKIXFRAXSORLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c1-11-7-9-12(10-8-11)22-17(24)16(23)15(18(25)27-2)20(22)13-5-3-4-6-14(13)21-19(20)26/h3-10,23H,1-2H3,(H,21,26).
What are the key properties of methyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate?
methyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate has a molecular weight of 364.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4'-hydroxy-1'-(4-methylphenyl)-2,5'-dioxospiro[1H-indole-3,2'-pyrrole]-3'-carboxylate is sourced from PubChem (CID 102496044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).