(4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C12H10BrFN2O — CID 68892787

IUPAC(4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESC[C@@H]1CNC(=O)c2cc3cc(F)cc(Br)c3n21
InChIInChI=1S/C12H10BrFN2O/c1-6-5-15-12(17)10-3-7-2-8(14)4-9(13)11(7)16(6)10/h2-4,6H,5H2,1H3,(H,15,17)/t6-/m1/s1
InChIKeyMHOVNONRTMDMII-ZCFIWIBFSA-N
MW297.13 g/mol
LogP2.85
Rot. Bonds

About (4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

(4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 68892787) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is (4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name(4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID68892787
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name(4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESC[C@@H]1CNC(=O)c2cc3cc(F)cc(Br)c3n21
InChIInChI=1S/C12H10BrFN2O/c1-6-5-15-12(17)10-3-7-2-8(14)4-9(13)11(7)16(6)10/h2-4,6H,5H2,1H3,(H,15,17)/t6-/m1/s1
InChIKeyMHOVNONRTMDMII-ZCFIWIBFSA-N
XLogP2.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of (4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 68892787) is (4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for (4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for (4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is C[C@@H]1CNC(=O)c2cc3cc(F)cc(Br)c3n21.
What is the InChIKey of (4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is MHOVNONRTMDMII-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-6-5-15-12(17)10-3-7-2-8(14)4-9(13)11(7)16(6)10/h2-4,6H,5H2,1H3,(H,15,17)/t6-/m1/s1.
What are the key properties of (4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
(4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 297.13 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 68892787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).