9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C12H10ClFN2O — CID 22338250

IUPAC9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCC1CNC(=O)c2cc3c(Cl)ccc(F)c3n21
InChIInChI=1S/C12H10ClFN2O/c1-6-5-15-12(17)10-4-7-8(13)2-3-9(14)11(7)16(6)10/h2-4,6H,5H2,1H3,(H,15,17)
InChIKeyBSXUHRQXCBNKKH-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.74
Rot. Bonds

About 9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 22338250) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID22338250
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCC1CNC(=O)c2cc3c(Cl)ccc(F)c3n21
InChIInChI=1S/C12H10ClFN2O/c1-6-5-15-12(17)10-4-7-8(13)2-3-9(14)11(7)16(6)10/h2-4,6H,5H2,1H3,(H,15,17)
InChIKeyBSXUHRQXCBNKKH-UHFFFAOYSA-N
XLogP2.74
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 22338250) is 9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is CC1CNC(=O)c2cc3c(Cl)ccc(F)c3n21.
What is the InChIKey of 9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is BSXUHRQXCBNKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-6-5-15-12(17)10-4-7-8(13)2-3-9(14)11(7)16(6)10/h2-4,6H,5H2,1H3,(H,15,17).
What are the key properties of 9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 252.68 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 22338250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).