(4aS,7aS)-Octahydro-1-methyl-1H-pyrrolo[3,4-b]pyridine - CAS 151213-45-5

Catalog:	BB076422
Product Name:	(4aS,7aS)-Octahydro-1-methyl-1H-pyrrolo[3,4-b]pyridine
CAS:	151213-45-5
Synonyms:	(S,S)-2-Methyl-2,8-diazabicyclo[4.3.0]nonane; Moxifloxanin N-Methyl Nonane; (4aS,7aS)-Octahydro-1-methyl-1H-pyrrolo[3,4-b]pyridine; (4aS-cis)-Octahydro-1-methyl-1H-pyrrolo[3,4-b]pyridine (9CI)

Technical Data

IUPAC Name:	(4aS,7aS)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
Description:	(4aS,7aS)-Octahydro-1-methyl-1H-pyrrolo[3,4-b]pyridine is used in the synthetic preparation of penemylmethyl and cephalosporinylmethyl 7-(diazabicyclonono)quinolonecarboxylates as bactericides.
Molecular Weight:	140.23
Molecular Formula:	C8H16N2
Canonical SMILES:	CN1CCCC2C1CNC2
InChI:	InChI=1S/C8H16N2/c1-10-4-2-3-7-5-9-6-8(7)10/h7-9H,2-6H2,1H3/t7-,8+/m0/s1
InChI Key:	QVLUVOZDWSAEIP-JGVFFNPUSA-N
References:	Petersen, U.; et al. Ger. Offen. 46 pp. Patent 1994 CODEN:GWXXBX.

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	140.131348519
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.131348519
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4