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

C12H11F3N2O — CID 115107544

IUPAC9-(trifluoromethyl)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one
SMILESO=C1CN2c3cccc(C(F)(F)F)c3CC2CN1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)9-2-1-3-10-8(9)4-7-5-16-11(18)6-17(7)10/h1-3,7H,4-6H2,(H,16,18)
InChIKeyZCWKRPKUOJSNPF-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.57
Rot. Bonds

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

9-(trifluoromethyl)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one (PubChem CID 115107544) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 9-(trifluoromethyl)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one.

Molecular Properties

Compound Name9-(trifluoromethyl)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one
PubChem CID115107544
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name9-(trifluoromethyl)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one
SMILESO=C1CN2c3cccc(C(F)(F)F)c3CC2CN1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)9-2-1-3-10-8(9)4-7-5-16-11(18)6-17(7)10/h1-3,7H,4-6H2,(H,16,18)
InChIKeyZCWKRPKUOJSNPF-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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Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one?
The IUPAC name of 9-(trifluoromethyl)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one (CID 115107544) is 9-(trifluoromethyl)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one.
What is the SMILES notation for 9-(trifluoromethyl)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one?
The canonical SMILES for 9-(trifluoromethyl)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one is O=C1CN2c3cccc(C(F)(F)F)c3CC2CN1.
What is the InChIKey of 9-(trifluoromethyl)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one?
The InChIKey is ZCWKRPKUOJSNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)9-2-1-3-10-8(9)4-7-5-16-11(18)6-17(7)10/h1-3,7H,4-6H2,(H,16,18).
What are the key properties of 9-(trifluoromethyl)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one?
9-(trifluoromethyl)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-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)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one is sourced from PubChem (CID 115107544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).