Home Other Building Blocks 5-methyl-2-(1-methyl-1H-pyrrol-2-yl)azepane

5-methyl-2-(1-methyl-1H-pyrrol-2-yl)azepane

CAS No.:
871544-51-3
Catalog Number:
AG019OQM
Molecular Formula:
C12H20N2
Molecular Weight:
192.3006
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Product Description
Catalog Number:
AG019OQM
Chemical Name:
5-methyl-2-(1-methyl-1H-pyrrol-2-yl)azepane
CAS Number:
871544-51-3
Molecular Formula:
C12H20N2
Molecular Weight:
192.3006
MDL Number:
MFCD07352300
IUPAC Name:
5-methyl-2-(1-methylpyrrol-2-yl)azepane
InChI:
InChI=1S/C12H20N2/c1-10-5-6-11(13-8-7-10)12-4-3-9-14(12)2/h3-4,9-11,13H,5-8H2,1-2H3
InChI Key:
PBOFPZWAILWPJL-UHFFFAOYSA-N
SMILES:
CC1CCNC(CC1)c1cccn1C
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.163g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.306g/mol
Monoisotopic Mass:
192.163g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties