methyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate

C13H12F3NO4 — CID 156537251

IUPACmethyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(C)C(=O)C2(OC)C(F)(F)F
InChIInChI=1S/C13H12F3NO4/c1-17-9-6-7(10(18)20-2)4-5-8(9)12(21-3,11(17)19)13(14,15)16/h4-6H,1-3H3
InChIKeyIZGGYZPLLUOFNI-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.85
Rot. Bonds2

About methyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate

methyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate (PubChem CID 156537251) has the molecular formula C13H12F3NO4 and a molecular weight of 303.24 g/mol. Its IUPAC name is methyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate
PubChem CID156537251
Molecular FormulaC13H12F3NO4
Molecular Weight303.24 g/mol
Exact Mass303.07
IUPAC Namemethyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(C)C(=O)C2(OC)C(F)(F)F
InChIInChI=1S/C13H12F3NO4/c1-17-9-6-7(10(18)20-2)4-5-8(9)12(21-3,11(17)19)13(14,15)16/h4-6H,1-3H3
InChIKeyIZGGYZPLLUOFNI-UHFFFAOYSA-N
XLogP1.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate?
The IUPAC name of methyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate (CID 156537251) is methyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate.
What is the SMILES notation for methyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate?
The canonical SMILES for methyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate is COC(=O)c1ccc2c(c1)N(C)C(=O)C2(OC)C(F)(F)F.
What is the InChIKey of methyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate?
The InChIKey is IZGGYZPLLUOFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO4/c1-17-9-6-7(10(18)20-2)4-5-8(9)12(21-3,11(17)19)13(14,15)16/h4-6H,1-3H3.
What are the key properties of methyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate?
methyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate has a molecular weight of 303.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-1-methyl-2-oxo-3-(trifluoromethyl)indole-6-carboxylate is sourced from PubChem (CID 156537251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).