Home Nitriles 2-(4-methyl-3-oxopiperazin-1-yl)acetonitrile

2-(4-methyl-3-oxopiperazin-1-yl)acetonitrile

CAS No.:
1339077-97-2
Catalog Number:
AG01ACFR
Molecular Formula:
C7H11N3O
Molecular Weight:
153.1817
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Product Description
Catalog Number:
AG01ACFR
Chemical Name:
2-(4-methyl-3-oxopiperazin-1-yl)acetonitrile
CAS Number:
1339077-97-2
Molecular Formula:
C7H11N3O
Molecular Weight:
153.1817
MDL Number:
MFCD20389927
IUPAC Name:
2-(4-methyl-3-oxopiperazin-1-yl)acetonitrile
InChI:
InChI=1S/C7H11N3O/c1-9-4-5-10(3-2-8)6-7(9)11/h3-6H2,1H3
InChI Key:
PJGPHJCWGZELLI-UHFFFAOYSA-N
SMILES:
N#CCN1CCN(C(=O)C1)C
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.09g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.185g/mol
Monoisotopic Mass:
153.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties