1-(2-Propynyl)-1H-indole-2,3-dione 1-(丙-2-炔-1-基)-2,3-二氢-1h-吲哚-2,3-二酮

CAS 4290-87-3 MFCD00225166

化学结构图

4290-87-3
SMILES: C#CCN1C(=O)C(=O)c2ccccc21

化学属性

Mol. FormulaC11H7NO2
Mol. Weight185.18
Melting Point158-161 °C

别名和识别编码

Chemical Name1-(Prop-2-yn-1-yl)indoline-2,3-dione
CAS Number4290-87-3
Alfabeta NamePROPYNYLINDOLEDIONE H12123()------,
MDL NumberMFCD00225166
Synonym 1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione {LY} 1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione {} {LY} 1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione {} {} {LY} 1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione {} {} {} {LY} 1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione {} {} {} {} {LY} 1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione {} {} {} {} {} {LY} 1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione {} {} {} {} {} {} {LY} 1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione {} {} {} {} {} {} {} {LY} 1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione {} {} {} {} {} {} {} {} {LY} 1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione {} {} {} {} {} {} {} {} {} {LY} 1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione {} {} {} {} {} {} {} {} {} {} {LY} 1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(Prop-2-yn-1-yl)
Chemical Name Translation1-(丙-2-炔-1-基)-2,3-二氢-1h-吲哚-2,3-二酮
PubChem Substance ID1909002
LabNetwork Molecule IDLN00146160
InChIInChI=1S/C11H7NO2/c1-2-7-12-9-6-4-3-5-8(9)10(13)11(12)14/h1,3-6H,7H2
Canonical SMILESC#CCN1C2=CC=CC=C2C(=O)C1=O
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分类

  • {KO} Ketones
  • {KO} Acetylenes
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Indolines

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
Signal word Warning
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H302 Harmful if swallowed 吞食有害
Risk Statements
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
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
0
LogP
6.442000000000000e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indolines 吲哚啉

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