N-(3-Oxobutan-2-yl)acetamide N-(3-氧代丁-2-基)乙酰胺

CAS 6628-81-5 MFCD00014991

化学结构图

6628-81-5
SMILES: CC(=O)N[C@H](C)C(C)=O

化学属性

Mol. FormulaC6H11NO2
Mol. Weight129.16
Boiling Point102-106°/2mm
Melting PointOil (°C)

别名和识别编码

Chemical NameN-(3-Oxobutan-2-yl)acetamide
Alfabeta NameACETAMIDOBUTANONE 32---
MDL NumberMFCD00014991
CAS Number6628-81-5
Chemical Name TranslationN-(3-氧代丁-2-基)乙酰胺
InChIKeyIRVPUNRJDRXQBL-UHFFFAOYSA-N
LabNetwork Molecule IDLN02000019
PubChem Substance ID97923
InChIInChI=1S/C6H11NO2/c1-4(5(2)8)7-6(3)9/h4H,1-3H3,(H,7,9)
Synonym N-(3-Oxobutan-2-yl)acetamide {LY} N-(3-Oxobutan-2-yl)acetamide {} {LY} N-(3-Oxobutan-2-yl)acetamide {} {} {LY} N-(3-Oxobutan-2-yl)acetamide {} {} {} {LY} N-(3-Oxobutan-2-yl)acetamide {} {} {} {} {LY} N-(3-Oxobutan-2-yl)acetamide {} {} {} {} {} {LY} N-(3-Oxobutan-2-yl)acetamide {} {} {} {} {} {} {LY} N-(3-Oxobutan-2-yl)acetamide {} {} {} {} {} {} {} {LY} N-(3-Oxobutan-2-yl)acetamide {} {} {} {} {} {} {} {} {LY} N-(3-Oxobutan-2-yl)acetamide {} {} {} {} {} {} {} {} {} {LY} N-(3-Oxobutan-2-yl)acetamide {} {} {} {} {} {} {} {} {} {} {LY} N-(3-Oxobutan-2-yl)acetamide {} {} {} {} {} {} {} {} {} {} {} {LY} N-(3-Oxobutan-2-yl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(3-Oxobutan-2-yl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(3-Oxobutan-2-yl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(3-Oxobutan-2-yl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(3-Oxobutan-2-yl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Canonical SMILESCC(NC(C)=O)C(C)=O
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分类

  • {KO} Ketones

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
2
H-bond Donors
1
LogP
-1.597000000000000e-001

系列性分类

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