8W1

(5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one

Created:2021-10-01
Last modified:  2022-02-09

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count23
Aromatic Bond Count5
2D diagram of 8W1

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Chemical Component Summary

Name(5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
Systematic Name (OpenEye OEToolkits)3-methyl-7-(trifluoromethyl)-2~{H}-pyrrolo[1,2-a]pyrazin-1-one
FormulaC9 H7 F3 N2 O
Molecular Weight216.16
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cn2C=C(C)NC(=O)c2c1
SMILESCACTVS3.385CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F
Canonical SMILESCACTVS3.385 CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F
Canonical SMILESOpenEye OEToolkits2.0.7 CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F
InChIInChI1.03 InChI=1S/C9H7F3N2O/c1-5-3-14-4-6(9(10,11)12)2-7(14)8(15)13-5/h2-4H,1H3,(H,13,15)
InChIKeyInChI1.03 DYHQRCYZMPRXNH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 56587779