2-benzo[1,3]dioxol-5-yl-pyrrolidine - CAS 95849-38-0

Catalog:	BB041864
Product Name:	2-benzo[1,3]dioxol-5-yl-pyrrolidine
CAS:	95849-38-0
Synonyms:	2-(1,3-benzodioxol-5-yl)pyrrolidine; 2-(1,3-benzodioxol-5-yl)pyrrolidine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(1,3-benzodioxol-5-yl)pyrrolidine
Description:	2-benzo[1,3]dioxol-5-yl-pyrrolidine (CAS# 95849-38-0) is a useful research chemical.
Molecular Weight:	191.23
Molecular Formula:	C11H13NO2
Canonical SMILES:	C1CC(NC1)C2=CC3=C(C=C2)OCO3
InChI:	InChI=1S/C11H13NO2/c1-2-9(12-5-1)8-3-4-10-11(6-8)14-7-13-10/h3-4,6,9,12H,1-2,5,7H2
InChI Key:	RFDZPAOUCULWED-UHFFFAOYSA-N
Boiling Point:	293.7 °C at 760 mmHg
Purity:	95 %
Density:	1.194 g/cm³
MDL:	MFCD02663490
LogP:	2.16860

Publication Number	Title	Priority Date
WO-2020039027-A1	Pyrrolidine glycosidase inhibitors	20180822
US-2021213005-A1	Pyrrolidine glycosidase inhibitors	20180822
AU-2015299149-B2	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
US-10689383-B2	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
US-2017327503-A1	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804

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Complexity:	210
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:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.094628657
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6