structure of Octahydropyrrolo[1,2-a][1,4]diazepin-5-one

Octahydropyrrolo[1,2-a][1,4]diazepin-5-one

CAS No.: 1000577-71-8
M. Wt: 154.210
M. Fa: C8H14N2O
InChI Key: AKLGFFJQGYPBOC-UHFFFAOYSA-N
Appearance: light yellow liquid

Names and Identifiers of 1000577-71-8

CAS Number

1000577-71-8

IUPAC Name

1,2,3,4,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-5-one

InChI

InChI=1S/C8H14N2O/c11-8-3-4-9-6-7-2-1-5-10(7)8/h7,9H,1-6H2

InChIKey

AKLGFFJQGYPBOC-UHFFFAOYSA-N

Canonical SMILES

C1CC2CNCCC(=O)N2C1

Physical and chemical properties of 1000577-71-8

Boiling Point

299.0±29.0 °C at 760 mmHg

Density

1.1±0.1 g/cm3

Exact Mass

154.110611

Flash Point

134.6±24.3 °C

Index of Refraction

1.541

LogP

-0.77

Molecular Formula

C8H14N2O

Molecular Weight

154.210

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 1000577-71-8

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000577-71-8

Octahydropyrrolo[1,2-a][1,4]diazepin-5-one has potential applications in various fields:

  • Pharmaceutical Development: Its unique structure may lead to novel drug candidates targeting central nervous system disorders.
  • Chemical Biology: As a building block for synthesizing more complex molecules, it can facilitate studies in chemical biology and medicinal chemistry.
  • Material Science: Investigating its properties could reveal uses in developing new materials with specific functionalities.

The ongoing exploration of this compound's properties could expand its applicability across different scientific domains.

Interaction Studies of 1000577-71-8

Interaction studies involving octahydropyrrolo[1,2-a][1,4]diazepin-5-one focus on understanding how it interacts with biological targets. These studies typically include:

  • Binding Affinity Assessments: Evaluating how well the compound binds to various receptors or enzymes.
  • In Vivo and In Vitro Studies: Conducting experiments to observe biological effects and mechanisms of action.

Such studies are crucial for determining its viability as a therapeutic agent and understanding its pharmacodynamics and pharmacokinetics.

Biological Activity of 1000577-71-8

Research on octahydropyrrolo[1,2-a][1,4]diazepin-5-one has indicated potential biological activities, particularly in the realm of medicinal chemistry. Compounds with similar structures have been studied for their effects on:

  • Neurotransmitter Modulation: Some derivatives exhibit activity at neurotransmitter receptors, suggesting potential applications in treating neurological disorders.
  • Antimicrobial Properties: Preliminary studies suggest that related compounds may possess antimicrobial activity, although specific data on octahydropyrrolo[1,2-a][1,4]diazepin-5-one itself is limited.

Further research is necessary to fully elucidate its pharmacological profile and therapeutic potential.