(R)-tert-Butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate - CAS 1306763-30-3

Catalog:	BB070942
Product Name:	(R)-tert-Butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
CAS:	1306763-30-3
Synonyms:	(R)-tert-Butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate; tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate

Technical Data

IUPAC Name:	tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
Description:	(R)-tert-Butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate is a useful reagent in the preparation of oxadiazoles as sphingosine 1 phosphate receptor modulators useful in the treatment of S1P1-associated diseases.
Molecular Weight:	258.32
Molecular Formula:	C15H18N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1CCC2=C(C=CC=C12)C#N
InChI:	InChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-8-7-11-10(9-16)5-4-6-12(11)13/h4-6,13H,7-8H2,1-3H3,(H,17,18)/t13-/m1/s1
InChI Key:	LBHMMDUJKBJVQI-CYBMUJFWSA-N

Complexity:	391
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	258.136827821
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	258.136827821
Rotatable Bond Count:	3
Topological Polar Surface Area:	62.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6