N-Methyl-N-phenyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide - CAS 328936-22-7

Catalog:	BB059465
Product Name:	N-Methyl-N-phenyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide
CAS:	328936-22-7
Synonyms:	N-methyl-N-phenyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide

Technical Data

IUPAC Name:	N-methyl-N-phenyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide
Description:	N-Methyl-N-phenyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide is an intermediate in the synthesis of Ketorolac-d5 (K235617), the labeled analogue of Ketorolac, a Prostaglandin biosynthesis inhibitor. Analgesic; anti-inflammatory.
Molecular Weight:	240.3
Molecular Formula:	C15H16N2O
Canonical SMILES:	CN(C1=CC=CC=C1)C(=O)C2CCN3C2=CC=C3
InChI:	InChI=1S/C15H16N2O/c1-16(12-6-3-2-4-7-12)15(18)13-9-11-17-10-5-8-14(13)17/h2-8,10,13H,9,11H2,1H3
InChI Key:	LJSWLZXNTCQFTC-UHFFFAOYSA-N
References:	Rooks, W.H., et al. Agents Actions, 12, 684 (1982); Guzman, A., et al. J. Med. Chem., 29, 589 (1986); McQuary, H.J., et al. Clin. Pharmacol. Ther., 39, 89 (1986).

Complexity:	312
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.126263138
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	240.126263138
Rotatable Bond Count:	2
Topological Polar Surface Area:	25.2Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8