5TO

3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one

Created: 2015-11-30
Last modified:  2016-02-03

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count36
Aromatic Bond Count0
2D diagram of 5TO

Chemical Component Summary

Name3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one
Systematic Name (OpenEye OEToolkits)3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one
FormulaC12 H21 N O
Molecular Weight195.301
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385O=C(CCC1CCCC1)N2CCCC2
SMILESOpenEye OEToolkits2.0.4C1CCC(C1)CCC(=O)N2CCCC2
Canonical SMILESCACTVS3.385 O=C(CCC1CCCC1)N2CCCC2
Canonical SMILESOpenEye OEToolkits2.0.4 C1CCC(C1)CCC(=O)N2CCCC2
InChIInChI1.03 InChI=1S/C12H21NO/c14-12(13-9-3-4-10-13)8-7-11-5-1-2-6-11/h11H,1-10H2
InChIKeyInChI1.03 QNSQANVPHXTUQU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 5053787
ChEMBL CHEMBL4069377