1',2'-Dihydrospiro[cyclopentane-1,3'-indole]-2'-one

HCID 363343CAS 41058-67-7

基本情報

標準SMILES: O=C1Nc2ccccc2C12CCCC2
InChIKey: WFPNMCKAQLBEMD-UHFFFAOYSA-N
分子式: C12H13NO
平均分子量: 187.24 g/mol

名称と識別子

優先名称: 1',2'-Dihydrospiro[cyclopentane-1,3'-indole]-2'-one
IUPAC: spiro[1H-indole-3,1'-cyclopentane]-2-one
英語名: spiro[cyclopentane-1,3'-indolin]-2'-one
分子式: C12H13NO
分子量: 187.24

名称と別名

41058-67-71',2'-dihydrospiro[cyclopentane-1,3'-indole]-2'-one1',2'-dihydrospiro(cyclopentane-1,3'-indole)-2'-oneRefChem:408766851-360-8Spiro[cyclopentane-1,3'-indolin]-2'-oneMFCD11935112Spiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-onespiro[cyclopentane-1,3'-indol]-2'(1'h)-oneNSC628199spiro[cyclopentane-1,3'-indoline]-2'-oneSpiro(cyclopentane-1,3'-indoline)-2'-one

名称をさらに表示

1',2'-dihydrospiro[cyclopentane-1,3'-indole]-2'- one

spiro(cyclopentane-1,3'-indol)-2'(1'H)-onespiro[1H-indole-3,1'-cyclopentane]-2-oneSCHEMBL1268479SCHEMBL7688647CHEMBL1973827SCHEMBL29387092WFPNMCKAQLBEMD-UHFFFAOYSA-N1`,2`-DIHYDROSPIRO[CYCLOPENTANE-1,3`-INDOLE]-2`-ONE

データベース識別子

CAS: 41058-67-7
PubChem CID: 363343
ChEMBL: CHEMBL1973827
EC Number: 851-360-8
Nikkaji: J465.527C

物性

構造計算による物性

XLogP: 2.2
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 255

物理化学的性質

融点: 113 °C · 113 °C
沸点: 371.5 · 371.5±31.0 °C(Predicted)
比重(密度): 1.2 · 1.20±0.1 g/cm3(Predicted)
酸解離定数(Pka): 14.1 · 14.10±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.