1-(4-Nitrophenyl)-2-pyrrolidinone - CAS 13691-26-4

Name: 1-(4-Nitrophenyl)-2-pyrrolidinone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008478
Product Name:	1-(4-Nitrophenyl)-2-pyrrolidinone
CAS:	13691-26-4
Synonyms:	1-(4-nitrophenyl)-2-pyrrolidinone; 1-(4-nitrophenyl)pyrrolidin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-nitrophenyl)pyrrolidin-2-one
Description:	1-(4-Nitrophenyl)-2-pyrrolidinone (CAS# 13691-26-4) is a useful research chemical.
Molecular Weight:	206.20
Molecular Formula:	C10H10N2O3
Canonical SMILES:	C1CC(=O)N(C1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C10H10N2O3/c13-10-2-1-7-11(10)8-3-5-9(6-4-8)12(14)15/h3-6H,1-2,7H2
InChI Key:	YYYMDBUHBOEDTC-UHFFFAOYSA-N
Boiling Point:	477.8 °C at 760 mmHg
Density:	1.353 g/cm³
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD00138492
LogP:	2.30980

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Related Functional Groups

Pyrrolidines

[18471-41-5]C10H14N2
3-Amino-1-phenylpyrrolidine
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1096881-75-2]C17H17NO
1-Benzhydryl-3-pyrrolidinone
[55727-59-8]C11H16N2
2-(Pyrrolidin-1-ylmethyl)aniline
[2006277-06-9]C9H19Br2N
1-(5-Bromopentyl)pyrrolidine Hydrobromide
[98435-76-8]C7H13NO2
1-Ethyl-L-proline

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Publication Number	Title	Priority Date
US-2009291945-A1	Cysteine protease inhibitors	20080409
JP-5632612-B2	Lactam compound or salt thereof and PPAR activator	20071205
JP-WO2009072581-A1	Lactam compound or salt thereof and PPAR activator	20071205
EP-2099453-A2	Combination therapy of substituted oxazolidinones	20061102
KR-20090086973-A	Combination Therapy of Substituted Oxazolidinones	20061102

Complexity:	266
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.06914219
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.06914219
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2