2-Cyclopenten-1-one - CAS 930-30-3

Catalog:	BB040745
Product Name:	2-Cyclopenten-1-one
CAS:	930-30-3
Synonyms:	cyclopent-2-en-1-one

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Computed Properties

IUPAC Name:	cyclopent-2-en-1-one
Description:	2-Cyclopenten-1-one (CAS# 930-30-3) is a chemical reagent used in the synthesis of LY354740, an important glutamate receptor agonist with anticonvulsant and anxiolytic properties. Also used in the synthesis of Armillarivin.
Molecular Weight:	82.10
Molecular Formula:	C5H6O
Canonical SMILES:	C1CC(=O)C=C1
InChI:	InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2
InChI Key:	BZKFMUIJRXWWQK-UHFFFAOYSA-N
Boiling Point:	150 °C
Purity:	> 99 %
Density:	0.98 g/cm³
Appearance:	Clear yellow liquid
Storage:	2-8 °C
MDL:	MFCD00001401
LogP:	0.90550

Publication Number	Title	Priority Date
CN-113501764-A	Asymmetric synthesis method of multi-functional cyclopentenone derivative containing trifluoromethyl	20210707
CN-113501766-A	Asymmetric synthesis method of multifunctional cyclopentenone derivative containing difluoroalkyl	20210707
CN-113354552-A	Synthetic method of V-type organic ligand, synthesized V-type organic ligand and application thereof	20210630
CN-113419404-A	Photoresist composition	20210629
CN-113354831-A	DASA functionalized novel photoresponse COFs material and preparation method and application thereof	20210628

PMID	Publication Date	Title	Journal
26644468	20160205	Selenoprotein Expression in Macrophages Is Critical for Optimal Clearance of Parasitic Helminth Nippostrongylus brasiliensis	The Journal of biological chemistry
23973622	20131201	Prostaglandin D2 toxicity in primary neurons is mediated through its bioactive cyclopentenone metabolites	Neurotoxicology
23083207	20121102	Total synthesis of pactamycin and pactamycate: a detailed account	The Journal of organic chemistry
23042187	20121101	Prostaglandins as negative regulators against lipopolysaccharide, lipoteichoic acid, and peptidoglycan-induced inducible nitric oxide synthase/nitric oxide production through reactive oxygen species-dependent heme oxygenase 1 expression in macrophages	Shock (Augusta, Ga.)
22982731	20121030	Neuroprotective cyclopentenone prostaglandins up-regulate neurotrophic factors in C6 glioma cells	Brain research

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[4313-03-5]
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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P312, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	92.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	82.041864811
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	82.041864811
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5