Home Nitriles 3-Pyrrolidinecarbonitrile, 5-oxo-

3-Pyrrolidinecarbonitrile, 5-oxo-

CAS No.:
824966-97-4
Catalog Number:
AG004ZGB
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
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Product Description
Catalog Number:
AG004ZGB
Chemical Name:
3-Pyrrolidinecarbonitrile, 5-oxo-
CAS Number:
824966-97-4
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD19677373
IUPAC Name:
5-oxopyrrolidine-3-carbonitrile
InChI:
InChI=1S/C5H6N2O/c6-2-4-1-5(8)7-3-4/h4H,1,3H2,(H,7,8)
InChI Key:
PGGZFAMYBLCHOZ-UHFFFAOYSA-N
SMILES:
N#CC1CNC(=O)C1
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties