9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C11H9FN2O — CID 18520478

IUPAC9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESO=C1NCCn2c1cc1c(F)cccc12
InChIInChI=1S/C11H9FN2O/c12-8-2-1-3-9-7(8)6-10-11(15)13-4-5-14(9)10/h1-3,6H,4-5H2,(H,13,15)
InChIKeyORVGCOMTRKDMJF-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.52
Rot. Bonds

About 9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 18520478) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID18520478
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESO=C1NCCn2c1cc1c(F)cccc12
InChIInChI=1S/C11H9FN2O/c12-8-2-1-3-9-7(8)6-10-11(15)13-4-5-14(9)10/h1-3,6H,4-5H2,(H,13,15)
InChIKeyORVGCOMTRKDMJF-UHFFFAOYSA-N
XLogP1.52
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 18520478) is 9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is O=C1NCCn2c1cc1c(F)cccc12.
What is the InChIKey of 9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is ORVGCOMTRKDMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-8-2-1-3-9-7(8)6-10-11(15)13-4-5-14(9)10/h1-3,6H,4-5H2,(H,13,15).
What are the key properties of 9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 204.20 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 18520478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).