VVY

2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one

Created:2020-09-17
Last modified:  2020-09-30

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count31
Aromatic Bond Count6
2D diagram of VVY

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Chemical Component Summary

Name2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
Systematic Name (OpenEye OEToolkits)2-phenoxy-1-pyrrolidin-1-yl-ethanone
FormulaC12 H15 N O2
Molecular Weight205.253
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N1(CCCC1)C(=O)COc2ccccc2
SMILESCACTVS3.385O=C(COc1ccccc1)N2CCCC2
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)OCC(=O)N2CCCC2
Canonical SMILESCACTVS3.385 O=C(COc1ccccc1)N2CCCC2
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)OCC(=O)N2CCCC2
InChIInChI1.03 InChI=1S/C12H15NO2/c14-12(13-8-4-5-9-13)10-15-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyInChI1.03 FYNNGWZCHCSIQA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 910270
ChEMBL CHEMBL1351238