9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one

C12H11F3N2O — CID 115107411

IUPAC9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
SMILESO=C1CNCC2Cc3c(cccc3C(F)(F)F)N12
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)9-2-1-3-10-8(9)4-7-5-16-6-11(18)17(7)10/h1-3,7,16H,4-6H2
InChIKeyZIXLXYYLCBHVLI-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.57
Rot. Bonds

About 9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one

9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one (PubChem CID 115107411) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one.

Molecular Properties

Compound Name9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
PubChem CID115107411
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
SMILESO=C1CNCC2Cc3c(cccc3C(F)(F)F)N12
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)9-2-1-3-10-8(9)4-7-5-16-6-11(18)17(7)10/h1-3,7,16H,4-6H2
InChIKeyZIXLXYYLCBHVLI-UHFFFAOYSA-N
XLogP1.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(trifluoromethyl)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one
CID 115107544
6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84739860
7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84740131
1-methyl-4-(trifluoromethyl)-3H-indol-2-one
CID 57380795
7-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84742973
6-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-diazepane-2,4-dione
CID 81070576
8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84740780
7-(trifluoromethyl)-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one
CID 68689133
10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
CID 84634503
3-pyrrolidin-3-yl-5-(trifluoromethyl)quinazolin-4-one
CID 117263512
4-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115063777
1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64955519

Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The IUPAC name of 9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one (CID 115107411) is 9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one.
What is the SMILES notation for 9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The canonical SMILES for 9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one is O=C1CNCC2Cc3c(cccc3C(F)(F)F)N12.
What is the InChIKey of 9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The InChIKey is ZIXLXYYLCBHVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)9-2-1-3-10-8(9)4-7-5-16-6-11(18)17(7)10/h1-3,7,16H,4-6H2.
What are the key properties of 9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one has a molecular weight of 256.23 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one is sourced from PubChem (CID 115107411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).