2-(4-Oxopentyl)isoindoline-1,3-dione 2-(4-氧代戊基)-1H-异吲哚-1,3(2H)-二酮

CAS 3197-25-9 MFCD06797717

化学结构图

3197-25-9
SMILES: CC(=O)CCCN1C(=O)c2ccccc2C1=O

化学属性

Mol. FormulaC13H13NO3
Mol. Weight231.25
Melting Point74-75 °C

别名和识别编码

Chemical Name2-(4-Oxopentyl)isoindoline-1,3-dione
CAS Number3197-25-9
Alfabeta NameOXOPENTYLISOINDOLEDIONE HH241132(())------,
MDL NumberMFCD06797717
Chemical Name Translation2-(4-oxopentyl)-1H-isoindole-1,3(2H)-dione
LabNetwork Molecule IDLN00150520
PubChem Substance ID236270
InChIInChI=1S/C13H13NO3/c1-9(15)5-4-8-14-12(16)10-6-2-3-7-11(10)13(14)17/h2-3,6-7H,4-5,8H2,1H3
Synonym 2-(4-Oxopentyl)isoindoline-1,3-dione {LY} 2-(4-Oxopentyl)isoindoline-1,3-dione {} {LY} 2-(4-Oxopentyl)isoindoline-1,3-dione {} {} {LY} 2-(4-Oxopentyl)isoindoline-1,3-dione {} {} {} {LY} 2-(4-Oxopentyl)isoindoline-1,3-dione {} {} {} {} {LY} 2-(4-Oxopentyl)isoindoline-1,3-dione {} {} {} {} {} {LY} 2-(4-Oxopentyl)isoindoline-1,3-dione {} {} {} {} {} {} {LY} 2-(4-Oxopentyl)isoindoline-1,3-dione {} {} {} {} {} {} {} {LY} 2-(4-Oxopentyl)isoindoline-1,3-dione {} {} {} {} {} {} {} {} {LY} 2-(4-Oxopentyl)isoindoline-1,3-dione {} {} {} {} {} {} {} {} {} {LY} 2-(4-Oxopentyl)isoindoline-1,3-dione {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Oxopentyl)isoindoline-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Oxopentyl)isoindoline-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Oxopentyl)isoindoline-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Oxopentyl)isoindoline-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Oxopentyl)isoindoline-1,3-di
Canonical SMILESCC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O
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分类

  • {KO} Ketones

安全信息

Warnings IRRITANT
Hazard statements
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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
3
Rotatable Bonds
4
H-bond Donors
0
LogP
1

系列性分类

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