2-シクロペンテン-1-オン

2-Cyclopenten-1-one

HCID 13588CAS 28982-58-3

基本情報

標準SMILES: O=C1C=CCC1
InChIKey: BZKFMUIJRXWWQK-UHFFFAOYSA-N
分子式: C5H6O
平均分子量: 82.1 g/mol
単同位体質量: 82.04186481

概要

2-cyclopenten-1-one is an enone that is cyclopentanone having a C=C double bond at position 2. It has a role as a Hsp70 inducer. It is an alicyclic ketone and an enone.

名称と識別子

優先名称: 2-Cyclopenten-1-one
IUPAC: cyclopent-2-en-1-one
英語名: cyclopent-2-en-1-one
分子式: C5H6O
分子量: 82.1

名称と別名

2-CYCLOPENTEN-1-ONE930-30-32-Cyclopentenonecyclopent-2-en-1-oneCyclopent-2-enoneCyclopentenoneCyclopenten-3-oneMFCD000014012-Cyclopentene-1-one28982-58-33-Cyclopenten-2-oneQ0U2IGF9CK

名称をさらに表示

NSC-73117cyclopent-2-ene-1-oneCyclopenten-2-oneUNII-Q0U2IGF9CKCyclopenten-3-one (VAN)1-CYCLOPENTEN-3-ONEcis-cyclopentenoneDTXSID60870802

データベース識別子

CAS: 28982-58-3、930-30-3
PubChem CID: 13588
DTXSID: DTXSID60870802
ChEMBL: CHEMBL52190
ChEBI: CHEBI:141550
UNII: Q0U2IGF9CK
EC Number: 213-213-0
Nikkaji: J80.018J

物性

構造計算による物性

XLogP: 0.5
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 92.1

実験および物理化学的性質

Chemical ClassesOther Classes -> Aliphatic Ketones, Other

SpringerMaterials PropertiesElectric dipole moment

Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.