Cyclopropanecarboxamide - CAS 6228-73-5

Catalog:	BB031507
Product Name:	Cyclopropanecarboxamide
CAS:	6228-73-5
Synonyms:	cyclopropanecarboxamide; cyclopropanecarboxamide

Technical Data

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Computed Properties

IUPAC Name:	cyclopropanecarboxamide
Description:	Cyclopropanecarboxamide (CAS# 6228-73-5) is in Sigmadocia pumila where a study showed anticancer activity against human epidermoid cancer and breast adenocarcinoma cell from Sigmadocia pumila.
Molecular Weight:	85.10
Molecular Formula:	C4H7NO
Canonical SMILES:	C1CC1C(=O)N
InChI:	InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)
InChI Key:	AIMMVWOEOZMVMS-UHFFFAOYSA-N
Boiling Point:	248.5 °C at 760 mmHg
Density:	1.187 g/cm³
MDL:	MFCD00013729
LogP:	0.58200

Publication Number	Title	Priority Date
CN-113475519-A	Mung bean defoliant composition, mung bean defoliant and preparation method and using method thereof	20210709
JP-2021152083-A	Pest control method	20210702
JP-2021152084-A	Pest control method	20210702
JP-2021152085-A	Pest control method	20210702
CN-113331198-A	Use of bifloramide for improving plant quality	20210628

PMID	Publication Date	Title	Journal
31095385	20190725	N-(7-Cyano-6-(4-fluoro-3-(2-(3-(trifluoromethyl)phenyl)acetamido)phenoxy)benzo[d]thiazol-2-yl)cyclopropanecarboxamide (TAK-632) Analogues as Novel Necroptosis Inhibitors by Targeting Receptor-Interacting Protein Kinase 3 (RIPK3): Synthesis, Structure-Activity Relationships, and in Vivo Efficacy	Journal of medicinal chemistry
25953512	20150611	Discovery of (1R,2S)-2-{[(2,4-Dimethylpyrimidin-5-yl)oxy]methyl}-2-(3-fluorophenyl)-N-(5-fluoropyridin-2-yl)cyclopropanecarboxamide (E2006): A Potent and Efficacious Oral Orexin Receptor Antagonist	Journal of medicinal chemistry
23374867	20130301	Discovery of (1R,2R)-N-(4-(6-isopropylpyridin-2-yl)-3-(2-methyl-2H-indazol-5-yl)isothiazol-5-yl)-2-methylcyclopropanecarboxamide, a potent and orally efficacious mGlu5 receptor negative allosteric modulator	Bioorganic & medicinal chemistry letters
22569769	20120621	Multi-component anion relay cascade of 1-acetylcyclopropanecarboxamides, aldehydes and acrylonitrile: access to biscyanoethylated furo[3,2-c]pyridinones	Organic & biomolecular chemistry
21870825	20111005	Highly asymmetric intramolecular cyclopropanation of acceptor-substituted diazoacetates by Co(II)-based metalloradical catalysis: iterative approach for development of new-generation catalysts	Journal of the American Chemical Society

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GHS Hazard Statement:	H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	75.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	85.052763847
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	85.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4