Home Nitriles 3-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile

3-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile

CAS No.:
1016840-72-4
Catalog Number:
AG01AI2H
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
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Product Description
Catalog Number:
AG01AI2H
Chemical Name:
3-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile
CAS Number:
1016840-72-4
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD09941041
IUPAC Name:
3-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile
InChI:
InChI=1S/C12H12N2O/c13-8-10-3-1-4-11(7-10)9-14-6-2-5-12(14)15/h1,3-4,7H,2,5-6,9H2
InChI Key:
DGWXVKOHAAHEIH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CN1CCCC1=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