2-(2,6-Dimethyl-3-hydroxyphenyl)-3-oxo-2-azaindolizidine - CAS 1796881-08-7

Catalog:	BB067039
Product Name:	2-(2,6-Dimethyl-3-hydroxyphenyl)-3-oxo-2-azaindolizidine
CAS:	1796881-08-7
Synonyms:	2-(2,6-Dimethyl-3-hydroxyphenyl)-3-oxo-1,8-diazabicyclo[4.3.0]nonane; 2-(2,6-Dimethyl-3-hydroxyphenyl)-3-oxo-octahydro-imidazo[1,5-a]pyridine

Technical Data

IUPAC Name:	2-(3-hydroxy-2,6-dimethylphenyl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one
Description:	2-(2,6-Dimethyl-3-hydroxyphenyl)-3-oxo-2-azaindolizidine (cas# 1796881-08-7) is a compound useful in organic synthesis.
Molecular Weight:	260.33
Molecular Formula:	C15H20N2O2
Canonical SMILES:	CC1=C(C(=C(C=C1)O)C)N2CN3CCCCC3C2=O
InChI:	InChI=1S/C15H20N2O2/c1-10-6-7-13(18)11(2)14(10)17-9-16-8-4-3-5-12(16)15(17)19/h6-7,12,18H,3-5,8-9H2,1-2H3
InChI Key:	XBGDNOXHAVEMQD-UHFFFAOYSA-N
Melting Point:	>111°C (dec.)
Solubility:	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:	Pale Yellow to Light Yellow Solid

Complexity:	360
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	260.152477885
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	260.152477885
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.8Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5