Home Nitriles 2-Methyl-5-oxopyrrolidine-2-carbonitrile

2-Methyl-5-oxopyrrolidine-2-carbonitrile

CAS No.:
86240-21-3
Catalog Number:
AG004JTF
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG004JTF
Chemical Name:
2-Methyl-5-oxopyrrolidine-2-carbonitrile
CAS Number:
86240-21-3
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD12198475
IUPAC Name:
2-methyl-5-oxopyrrolidine-2-carbonitrile
InChI:
InChI=1S/C6H8N2O/c1-6(4-7)3-2-5(9)8-6/h2-3H2,1H3,(H,8,9)
InChI Key:
BXKKJJWDNAORNS-UHFFFAOYSA-N
SMILES:
CC1(CCC(=O)N1)C#N
NSC Number:
49102
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties