6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one

C11H11FN2O — CID 84739860

IUPAC6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
SMILESO=C1CNCC2Cc3cccc(F)c3N12
InChIInChI=1S/C11H11FN2O/c12-9-3-1-2-7-4-8-5-13-6-10(15)14(8)11(7)9/h1-3,8,13H,4-6H2
InChIKeyWGZVHUWYLMOWRE-UHFFFAOYSA-N
MW206.22 g/mol
LogP0.69
Rot. Bonds

About 6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one

6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one (PubChem CID 84739860) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one.

Molecular Properties

Compound Name6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
PubChem CID84739860
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
SMILESO=C1CNCC2Cc3cccc(F)c3N12
InChIInChI=1S/C11H11FN2O/c12-9-3-1-2-7-4-8-5-13-6-10(15)14(8)11(7)9/h1-3,8,13H,4-6H2
InChIKeyWGZVHUWYLMOWRE-UHFFFAOYSA-N
XLogP0.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The IUPAC name of 6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one (CID 84739860) is 6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one.
What is the SMILES notation for 6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The canonical SMILES for 6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one is O=C1CNCC2Cc3cccc(F)c3N12.
What is the InChIKey of 6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The InChIKey is WGZVHUWYLMOWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-9-3-1-2-7-4-8-5-13-6-10(15)14(8)11(7)9/h1-3,8,13H,4-6H2.
What are the key properties of 6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one has a molecular weight of 206.22 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one is sourced from PubChem (CID 84739860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).