2-Benzylhexahydrocyclopenta[c]pyrrol-4(1H)-one - CAS 185692-51-7

Catalog:	BB014242
Product Name:	2-Benzylhexahydrocyclopenta[c]pyrrol-4(1H)-one
CAS:	185692-51-7
Synonyms:	2-benzyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	2-benzyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one
Description:	2-Benzylhexahydrocyclopenta[c]pyrrol-4(1H)-one (CAS# 185692-51-7) is a useful research chemical.
Molecular Weight:	215.29
Molecular Formula:	C14H17NO
Canonical SMILES:	C1CC(=O)C2C1CN(C2)CC3=CC=CC=C3
InChI:	InChI=1S/C14H17NO/c16-14-7-6-12-9-15(10-13(12)14)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChI Key:	DLTLETIGPVMJIX-UHFFFAOYSA-N
Boiling Point:	336.682 °C at 760 mmHg
Purity:	96 %
Density:	1.14 g/cm³
MDL:	MFCD06658339
LogP:	2.03540

Publication Number	Title	Priority Date
AU-2016303558-A1	Dopamine D3 receptor antagonists having a bicyclo moiety	20150805
CA-2992820-A1	Dopamine d3 receptor antagonists having a bicyclo moiety	20150805
EP-3331886-A1	Dopamine d3 receptor antagonists having a bicyclo moiety	20150805
US-10273244-B2	Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators	20150805
US-10584135-B2	Substituted 3,6-diazabicyclo[3.2.0]heptanes	20150805

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Complexity:	270
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.131014166
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.131014166
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6