N-(2-Hydroxybenzoyl)pyrrolidine - CAS 98841-68-0

Catalog:	BB042223
Product Name:	N-(2-Hydroxybenzoyl)pyrrolidine
CAS:	98841-68-0
Synonyms:	(2-hydroxyphenyl)-pyrrolidin-1-ylmethanone

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Computed Properties

IUPAC Name:	(2-hydroxyphenyl)-pyrrolidin-1-ylmethanone
Description:	N-(2-Hydroxybenzoyl)pyrrolidine (CAS# 98841-68-0 ) is a useful research chemical.
Molecular Weight:	191.23
Molecular Formula:	C11H13NO2
Canonical SMILES:	C1CCN(C1)C(=O)C2=CC=CC=C2O
InChI:	InChI=1S/C11H13NO2/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2
InChI Key:	LELBEJMWNJWJDG-UHFFFAOYSA-N
Boiling Point:	359.7 °C at 760 mmHg
Density:	1.231 g/cm³
MDL:	MFCD00020832
LogP:	1.56610

Publication Number	Title	Priority Date
WO-2020231979-A1	Small molecule inhibitors of viral replication	20190513
WO-2020231979-A9	Small molecule inhibitors of viral replication	20190513
CN-109810015-A	The synthetic method of amides compound	20190221
WO-2020128434-A1	Method of reducing aromatic nitro compounds	20181218
WO-2020131574-A1	Method of reducing aromatic nitro compounds	20181218

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GHS Hazard Statement:	H302 (100%): 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:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.094628657
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.094628657
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1