Home Nitriles 4-(3-oxopiperazin-1-yl)benzonitrile

4-(3-oxopiperazin-1-yl)benzonitrile

CAS No.:
1019601-14-9
Catalog Number:
AG019MW0
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
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Product Description
Catalog Number:
AG019MW0
Chemical Name:
4-(3-oxopiperazin-1-yl)benzonitrile
CAS Number:
1019601-14-9
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
MDL Number:
MFCD11099554
IUPAC Name:
4-(3-oxopiperazin-1-yl)benzonitrile
InChI:
InChI=1S/C11H11N3O/c12-7-9-1-3-10(4-2-9)14-6-5-13-11(15)8-14/h1-4H,5-6,8H2,(H,13,15)
InChI Key:
RJZYYNKAWQNSKZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N1CCNC(=O)C1
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties