Home Nitriles 2-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile

2-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile

CAS No.:
1000932-70-6
Catalog Number:
AG019LBA
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
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Product Description
Catalog Number:
AG019LBA
Chemical Name:
2-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile
CAS Number:
1000932-70-6
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD09863395
IUPAC Name:
2-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile
InChI:
InChI=1S/C12H12N2O/c13-8-10-4-1-2-5-11(10)9-14-7-3-6-12(14)15/h1-2,4-5H,3,6-7,9H2
InChI Key:
CMNFBCHXBLLJOB-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CN1CCCC1=O
Properties
Complexity:
291  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties