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

C18H16N2O — CID 90036499

IUPAC4-methyl-6-phenyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCC1CNC(=O)c2cc3cccc(-c4ccccc4)c3n21
InChIInChI=1S/C18H16N2O/c1-12-11-19-18(21)16-10-14-8-5-9-15(17(14)20(12)16)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyMWTLIQSOQFYRRW-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.61
Rot. Bonds1

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

4-methyl-6-phenyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 90036499) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-methyl-6-phenyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name4-methyl-6-phenyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID90036499
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-methyl-6-phenyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCC1CNC(=O)c2cc3cccc(-c4ccccc4)c3n21
InChIInChI=1S/C18H16N2O/c1-12-11-19-18(21)16-10-14-8-5-9-15(17(14)20(12)16)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyMWTLIQSOQFYRRW-UHFFFAOYSA-N
XLogP3.61
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 4-methyl-6-phenyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 90036499) is 4-methyl-6-phenyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 4-methyl-6-phenyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 4-methyl-6-phenyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is CC1CNC(=O)c2cc3cccc(-c4ccccc4)c3n21.
What is the InChIKey of 4-methyl-6-phenyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is MWTLIQSOQFYRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-11-19-18(21)16-10-14-8-5-9-15(17(14)20(12)16)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,19,21).
What are the key properties of 4-methyl-6-phenyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
4-methyl-6-phenyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 276.34 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 90036499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).