1-Allyl-5-oxopyrrolidine-3-carboxylic acid - CAS 16199-99-8

Catalog:	BB011810
Product Name:	1-Allyl-5-oxopyrrolidine-3-carboxylic acid
CAS:	16199-99-8
Synonyms:	5-oxo-1-prop-2-enylpyrrolidine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-oxo-1-prop-2-enylpyrrolidine-3-carboxylic acid
Description:	1-Allyl-5-oxopyrrolidine-3-carboxylic acid (CAS# 16199-99-8) is a useful research chemical.
Molecular Weight:	169.18
Molecular Formula:	C8H11NO3
Canonical SMILES:	C=CCN1CC(CC1=O)C(=O)O
InChI:	InChI=1S/C8H11NO3/c1-2-3-9-5-6(8(11)12)4-7(9)10/h2,6H,1,3-5H2,(H,11,12)
InChI Key:	NQPNARIZMOTIPS-UHFFFAOYSA-N
Boiling Point:	380.5 °C at 760 mmHg
Purity:	95 %
Density:	1.228 g/cm³
MDL:	MFCD03670868
LogP:	0.04340

Publication Number	Title	Priority Date
EP-3194365-A1	Pyrrolidone derivatives, oligomers and polymers	20140914
US-2017246323-A1	Pyrrolidone derivatives, oligomers and polymers	20140914
US-2019352258-A1	Pyrrolidone derivatives, oligomers and polymers	20140914
WO-2016040962-A1	Pyrrolidone derivatives, oligomers and polymers	20140914
US-10968176-B2	Pyrrolidone derivatives, oligomers and polymers	20140914

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Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.07389321
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.07389321
Rotatable Bond Count:	3
Topological Polar Surface Area:	57.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4