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Home Other Building Blocks 3-Methylpyrrole

3-Methylpyrrole

CAS No.:
616-43-3
Catalog Number:
AG0033R0
Molecular Formula:
C5H7N
Molecular Weight:
81.1158
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$53
- +
500mg
95%
In Stock USA
United States
$95
- +
Product Description
Catalog Number:
AG0033R0
Chemical Name:
3-Methylpyrrole
CAS Number:
616-43-3
Molecular Formula:
C5H7N
Molecular Weight:
81.1158
MDL Number:
MFCD00083419
IUPAC Name:
3-methyl-1H-pyrrole
InChI:
InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3
InChI Key:
FEKWWZCCJDUWLY-UHFFFAOYSA-N
SMILES:
Cc1c[nH]cc1
Properties
Complexity:
43.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
81.058g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
81.118g/mol
Monoisotopic Mass:
81.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Use of a halogenase of hormaomycin biosynthesis for formation of new clorobiocin analogues with 5-chloropyrrole moieties. Chembiochem : a European journal of chemical biology 20080811
Decoys for docking. Journal of medicinal chemistry 20050602
Preparation of six isomeric bis-acylporphyrins with chromophores reaching the near-infrared via intramolecular Friedel-Crafts reaction. The Journal of organic chemistry 20031128
Importance of the C-H...N weak hydrogen bonding on the coordination structures of manganese(III) porphyrin complexes. Inorganic chemistry 20030407
A model binding site for testing scoring functions in molecular docking. Journal of molecular biology 20020913
Properties