(4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C13H11F3N2O — CID 68890167

IUPAC(4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESC[C@@H]1CNC(=O)c2cc3cccc(C(F)(F)F)c3n21
InChIInChI=1S/C13H11F3N2O/c1-7-6-17-12(19)10-5-8-3-2-4-9(13(14,15)16)11(8)18(7)10/h2-5,7H,6H2,1H3,(H,17,19)/t7-/m1/s1
InChIKeyYIPOOLRSQYTKNF-SSDOTTSWSA-N
MW268.24 g/mol
LogP2.96
Rot. Bonds

About (4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

(4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 68890167) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is (4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name(4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID68890167
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name(4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESC[C@@H]1CNC(=O)c2cc3cccc(C(F)(F)F)c3n21
InChIInChI=1S/C13H11F3N2O/c1-7-6-17-12(19)10-5-8-3-2-4-9(13(14,15)16)11(8)18(7)10/h2-5,7H,6H2,1H3,(H,17,19)/t7-/m1/s1
InChIKeyYIPOOLRSQYTKNF-SSDOTTSWSA-N
XLogP2.96
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of (4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 68890167) is (4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for (4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for (4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is C[C@@H]1CNC(=O)c2cc3cccc(C(F)(F)F)c3n21.
What is the InChIKey of (4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is YIPOOLRSQYTKNF-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-7-6-17-12(19)10-5-8-3-2-4-9(13(14,15)16)11(8)18(7)10/h2-5,7H,6H2,1H3,(H,17,19)/t7-/m1/s1.
What are the key properties of (4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
(4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 268.24 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 68890167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).