Home Nitriles 5-oxo-1-(propan-2-yl)pyrrolidine-3-carbonitrile

5-oxo-1-(propan-2-yl)pyrrolidine-3-carbonitrile

CAS No.:
1017446-29-5
Catalog Number:
AG01AM1V
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
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Product Description
Catalog Number:
AG01AM1V
Chemical Name:
5-oxo-1-(propan-2-yl)pyrrolidine-3-carbonitrile
CAS Number:
1017446-29-5
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD10004074
IUPAC Name:
5-oxo-1-propan-2-ylpyrrolidine-3-carbonitrile
InChI:
InChI=1S/C8H12N2O/c1-6(2)10-5-7(4-9)3-8(10)11/h6-7H,3,5H2,1-2H3
InChI Key:
ZGSQAUSJTMSOFW-UHFFFAOYSA-N
SMILES:
CC(N1CC(CC1=O)C#N)C
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties