(S)-1-benzyl-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C14H12N2O/c17-14-12-9-15-7-6-11(12)13(16-14)8-10-4-2-1-3-5-10/h1-7,9,13H,8H2,(H,16,17), and canonical SMILES descriptor[cheminf_000007]: O=C1NC(c2c1cncc2)Cc1ccccc1, and by the IUPAC name[cheminf_000107]: .

The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:

The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-62055

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:

The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:

CHMO:0002136 | chiral stationary phase high-performance liquid chromatography (CSP HPLC)

The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:

Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigations

本实体为与某分子[CHEBI_25367]相关联的物理化学实体[CHEBI_24431]。
该分子[CHEBI_25367]可通过以下结构描述符[cheminf_000085]进行表征：
InChI描述符[cheminf_000113]：InChI=1S/C14H12N2O/c17-14-12-9-15-7-6-11(12)13(16-14)8-10-4-2-1-3-5-10/h1-7,9,13H,8H2,(H,16,17)；标准SMILES描述符[cheminf_000007]：O=C1NC(c2c1cncc2)Cc1ccccc1；以及IUPAC命名[cheminf_000107]：（无内容）。
该物理化学实体[CHEBI_24431]含有组分溶剂[CHEBI_46787]，其可通过标准SMILES描述符[cheminf_000007]表征：（无内容）。
该物理化学实体[CHEBI_24431]在科研数据仓储chemotion（网址：www.chemotion-repository.net，DOI：10.25504/FAIRsharing.iagXcR）中注册的样本编号为：CRS-62055。
该物理化学实体[CHEBI_24431]可通过以下物理描述符[CHEMINF_000025]进行表征：
熔点描述符[CHEMINF_000256]：（无数据）
沸点描述符[CHEMINF_000257]：（无数据）
折射率描述符[CHEMINF_000253]：（无数据）
该物理化学实体[CHEBI_24431]还可通过以下检测实验[OBI:0000070][CHMO:0001133]进行表征：
CHMO:0002136 | 手性固定相高效液相色谱法（CSP HPLC）
该物理化学实体[CHEBI_24431]已被存入卡尔斯鲁厄理工学院（KIT）的分子档案库，其样本编号为：（无内容）。
所用本体如下：
CHEBI：生物感兴趣化学实体（Chemical Entities of Biological Interest）
CHEMINF：化学信息本体（针对化学实体的信息实体）
CHMO：化学方法本体（Chemical Methods Ontology）
OBI：生物调查本体（Ontology for Biomedical Investigations）