(R)-Benzyl 2-((5-bromo-1H-indol-3-yl)methyl)pyrrolidine-1-carboxylate - CAS 143322-46-7

Catalog:	BB055082
Product Name:	(R)-Benzyl 2-((5-bromo-1H-indol-3-yl)methyl)pyrrolidine-1-carboxylate
CAS:	143322-46-7
Synonyms:	(R)-Benzyl 2-((5-bromo-1H-indol-3-yl)methyl)pyrrolidine-1-carboxylate; benzyl (2R)-2-[(5-bromo-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate; 3-(1-Benzyloxycarbonylpyrrolidin-2(R)-ylmethyl)-5-bromo-1H-indole; 3-(N-benzyloxycarbonyl-2(R)-pyrrolidinylmethyl)-5-bromo-1H-indole; (R)-3-(N-Benzyloxycarbonylpyrrolidin-2-yl-methyl)-5-bromo-1H-indole

Technical Data

IUPAC Name:	benzyl (2R)-2-[(5-bromo-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate
Description:	(R)-Benzyl 2-((5-bromo-1H-indol-3-yl)methyl)pyrrolidine-1-carboxylate is used in the preparation of indole-derivative serotoninergic receptor agonists.
Molecular Weight:	413.31
Molecular Formula:	C21H21BrN2O2
Canonical SMILES:	C1CC(N(C1)C(=O)OCC2=CC=CC=C2)CC3=CNC4=C3C=C(C=C4)Br
InChI:	InChI=1S/C21H21BrN2O2/c22-17-8-9-20-19(12-17)16(13-23-20)11-18-7-4-10-24(18)21(25)26-14-15-5-2-1-3-6-15/h1-3,5-6,8-9,12-13,18,23H,4,7,10-11,14H2/t18-/m1/s1
InChI Key:	ICTXUHGADAKYDZ-GOSISDBHSA-N

Complexity:	483
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	412.07864
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	412.07864
Rotatable Bond Count:	5
Topological Polar Surface Area:	45.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.9