Home Nitriles 1-benzyl-5-oxopyrrolidine-3-carbonitrile

1-benzyl-5-oxopyrrolidine-3-carbonitrile

CAS No.:
120656-57-7
Catalog Number:
AG00951C
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00951C
Chemical Name:
1-benzyl-5-oxopyrrolidine-3-carbonitrile
CAS Number:
120656-57-7
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD10004084
IUPAC Name:
1-benzyl-5-oxopyrrolidine-3-carbonitrile
InChI:
InChI=1S/C12H12N2O/c13-7-11-6-12(15)14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6,8-9H2
InChI Key:
CDDZWHLPCYLXLK-UHFFFAOYSA-N
SMILES:
N#CC1CN(C(=O)C1)Cc1ccccc1
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties