KIK

(4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one

Created: 2016-08-23
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count1
Bond Count16
Aromatic Bond Count0
2D diagram of KIK

Chemical Component Summary

Name(4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one
Systematic Name (OpenEye OEToolkits)(4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one
FormulaC5 H9 N O2
Molecular Weight115.13
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385N[CH](CO)C(=O)C=C
SMILESOpenEye OEToolkits2.0.5C=CC(=O)C(CO)N
Canonical SMILESCACTVS3.385 N[C@@H](CO)C(=O)C=C
Canonical SMILESOpenEye OEToolkits2.0.5 C=CC(=O)[C@H](CO)N
InChIInChI1.03 InChI=1S/C5H9NO2/c1-2-5(8)4(6)3-7/h2,4,7H,1,3,6H2/t4-/m0/s1
InChIKeyInChI1.03 UCJPATVGPSMUQX-BYPYZUCNSA-N

Related Resource References

Resource NameReference
PubChem 137349649