Ethyl (E)-3-(1-pyrrolidinyl)crotonate - CAS 54716-02-8

Catalog:	BB028797
Product Name:	Ethyl (E)-3-(1-pyrrolidinyl)crotonate
CAS:	54716-02-8
Synonyms:	ethyl (E)-3-pyrrolidin-1-ylbut-2-enoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl (E)-3-pyrrolidin-1-ylbut-2-enoate
Description:	Ethyl (E)-3-(1-pyrrolidinyl)crotonate (CAS# 54716-02-8) is a useful research chemical.
Molecular Weight:	183.25
Molecular Formula:	C10H17NO2
Canonical SMILES:	CCOC(=O)C=C(C)N1CCCC1
InChI:	InChI=1S/C10H17NO2/c1-3-13-10(12)8-9(2)11-6-4-5-7-11/h8H,3-7H2,1-2H3/b9-8+
InChI Key:	MSOQKPXSIHLODG-CMDGGOBGSA-N
Boiling Point:	125-126 °C / 0.8 mmHg
Density:	1.036 g/cm³
Appearance:	Colorless yellow liquid
MDL:	MFCD00014097
LogP:	1.48700

Publication Number	Title	Priority Date
WO-2020249759-A1	Method for fluoroalkylation of enamines	20190612
WO-2019238633-A1	New isoxazolyl ether derivatives as gaba a alpha5 pam	20180613
TW-202016106-A	Novel isoxazolate derivatives as GABA-AÎ±5 forward ectopic regulator (PAM)	20180613
AU-2019286312-A1	New isoxazolyl ether derivatives as GABA A alpha5 PAM	20180613
BR-112020025355-A2	ISOXAZOLYL Ether DERIVATIVES AS GABA TO ALFA5 PAM	20180613

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Pyrrolidines

[18471-41-5]
3-Amino-1-phenylpyrrolidine
[1096881-75-2]
1-Benzhydryl-3-pyrrolidinone
[1353995-46-6]
(R)-1-((2,4-Dichlorophenyl)sulfonyl)pyrrolidin-3-ol
[1319738-39-0]
(R)-4-((R)-1-((7-(3,4,5-Trimethoxyphenyl)-1,6-naphthyridin-5-yl)oxy)ethyl)pyrrolidin-2-one
[14398-95-9]
Ethyl 1-methylpyrrolidine-3-carboxylate
[36821-26-8]
Ethyl 2-oxopyrrolidine-3-carboxylate

GHS Hazard Statement:	H315 (11.63%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	183.125928785
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.125928785
Rotatable Bond Count:	4
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7