5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

C23H20N2O2 — CID 59352254

IUPAC5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCc1cc2c(cc1C)C1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C23H20N2O2/c1-15-11-19-21(12-16(15)2)27-14-23(19)18-8-3-4-9-20(18)25(22(23)26)13-17-7-5-6-10-24-17/h3-12H,13-14H2,1-2H3
InChIKeyLOKBLLJFRVKOEU-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.92
Rot. Bonds2

About 5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59352254) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59352254
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCc1cc2c(cc1C)C1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C23H20N2O2/c1-15-11-19-21(12-16(15)2)27-14-23(19)18-8-3-4-9-20(18)25(22(23)26)13-17-7-5-6-10-24-17/h3-12H,13-14H2,1-2H3
InChIKeyLOKBLLJFRVKOEU-UHFFFAOYSA-N
XLogP3.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59352254) is 5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is Cc1cc2c(cc1C)C1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21.
What is the InChIKey of 5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is LOKBLLJFRVKOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-15-11-19-21(12-16(15)2)27-14-23(19)18-8-3-4-9-20(18)25(22(23)26)13-17-7-5-6-10-24-17/h3-12H,13-14H2,1-2H3.
What are the key properties of 5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 356.43 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).