Home Nitriles 4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]benzonitrile

4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]benzonitrile

CAS No.:
1342448-76-3
Catalog Number:
AG01BDPA
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
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Product Description
Catalog Number:
AG01BDPA
Chemical Name:
4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]benzonitrile
CAS Number:
1342448-76-3
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
MDL Number:
MFCD19679516
IUPAC Name:
4-[(3-amino-2-oxopyrrolidin-1-yl)methyl]benzonitrile
InChI:
InChI=1S/C12H13N3O/c13-7-9-1-3-10(4-2-9)8-15-6-5-11(14)12(15)16/h1-4,11H,5-6,8,14H2
InChI Key:
DJLGCPDIILBMEB-UHFFFAOYSA-N
SMILES:
NC1CCN(C1=O)Cc1ccc(cc1)C#N
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties