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

C11H11FN2O — CID 115107539

IUPAC8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one
SMILESO=C1CN2c3ccc(F)cc3CC2CN1
InChIInChI=1S/C11H11FN2O/c12-8-1-2-10-7(3-8)4-9-5-13-11(15)6-14(9)10/h1-3,9H,4-6H2,(H,13,15)
InChIKeyBHLIGTLPUGPWDP-UHFFFAOYSA-N
MW206.22 g/mol
LogP0.69
Rot. Bonds

About 8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one

8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one (PubChem CID 115107539) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one.

Molecular Properties

Compound Name8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one
PubChem CID115107539
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one
SMILESO=C1CN2c3ccc(F)cc3CC2CN1
InChIInChI=1S/C11H11FN2O/c12-8-1-2-10-7(3-8)4-9-5-13-11(15)6-14(9)10/h1-3,9H,4-6H2,(H,13,15)
InChIKeyBHLIGTLPUGPWDP-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 8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one?
The IUPAC name of 8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one (CID 115107539) is 8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one.
What is the SMILES notation for 8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one?
The canonical SMILES for 8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one is O=C1CN2c3ccc(F)cc3CC2CN1.
What is the InChIKey of 8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one?
The InChIKey is BHLIGTLPUGPWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-8-1-2-10-7(3-8)4-9-5-13-11(15)6-14(9)10/h1-3,9H,4-6H2,(H,13,15).
What are the key properties of 8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one?
8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-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 8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one is sourced from PubChem (CID 115107539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).