2-(3-Pyrrolidinophenyl)-1,3-dioxolane - CAS 1141669-90-0

Catalog:	BB003316
Product Name:	2-(3-Pyrrolidinophenyl)-1,3-dioxolane
CAS:	1141669-90-0
Synonyms:	1-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine; 1-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine

Technical Data

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Computed Properties

IUPAC Name:	1-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine
Description:	2-(3-Pyrrolidinophenyl)-1,3-dioxolane (CAS# 1141669-90-0 ) is a useful research chemical.
Molecular Weight:	219.28
Molecular Formula:	C13H17NO2
Canonical SMILES:	C1CCN(C1)C2=CC=CC(=C2)C3OCCO3
InChI:	InChI=1S/C13H17NO2/c1-2-7-14(6-1)12-5-3-4-11(10-12)13-15-8-9-16-13/h3-5,10,13H,1-2,6-9H2
InChI Key:	PBSOJWHAESIZCR-UHFFFAOYSA-N
LogP:	2.39720

Publication Number	Title	Priority Date
WO-2021078132-A1	Inhibitors of mtor-mediated induction of autophagy	20191021
US-2015191476-A1	Imidazotriazinone Compounds	20120319
US-2017327502-A1	Imidazotriazinone compounds	20120319
US-9725453-B2	Imidazotriazinone compounds	20120319
US-9969742-B2	Imidazotriazinone compounds	20120319

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Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.125928785
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.125928785
Rotatable Bond Count:	2
Topological Polar Surface Area:	21.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9