5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one

C18H15F3N2O2 — CID 151364921

IUPAC5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)C1(NC(C(F)(F)F)c3ccccc31)C(=O)N2C
InChIInChI=1S/C18H15F3N2O2/c1-23-14-8-7-10(25-2)9-13(14)17(16(23)24)12-6-4-3-5-11(12)15(22-17)18(19,20)21/h3-9,15,22H,1-2H3
InChIKeyOPFOGQJPXPYBML-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.12
Rot. Bonds1

About 5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one

5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one (PubChem CID 151364921) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one
PubChem CID151364921
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)C1(NC(C(F)(F)F)c3ccccc31)C(=O)N2C
InChIInChI=1S/C18H15F3N2O2/c1-23-14-8-7-10(25-2)9-13(14)17(16(23)24)12-6-4-3-5-11(12)15(22-17)18(19,20)21/h3-9,15,22H,1-2H3
InChIKeyOPFOGQJPXPYBML-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one?
The IUPAC name of 5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one (CID 151364921) is 5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one.
What is the SMILES notation for 5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one?
The canonical SMILES for 5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one is COc1ccc2c(c1)C1(NC(C(F)(F)F)c3ccccc31)C(=O)N2C.
What is the InChIKey of 5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one?
The InChIKey is OPFOGQJPXPYBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-23-14-8-7-10(25-2)9-13(14)17(16(23)24)12-6-4-3-5-11(12)15(22-17)18(19,20)21/h3-9,15,22H,1-2H3.
What are the key properties of 5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one?
5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one has a molecular weight of 348.32 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one is sourced from PubChem (CID 151364921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).