Home Nitriles 1-cyclobutyl-5-oxopyrrolidine-3-carbonitrile

1-cyclobutyl-5-oxopyrrolidine-3-carbonitrile

CAS No.:
1339014-49-1
Catalog Number:
AG01A11M
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
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Product Description
Catalog Number:
AG01A11M
Chemical Name:
1-cyclobutyl-5-oxopyrrolidine-3-carbonitrile
CAS Number:
1339014-49-1
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD19677396
IUPAC Name:
1-cyclobutyl-5-oxopyrrolidine-3-carbonitrile
InChI:
InChI=1S/C9H12N2O/c10-5-7-4-9(12)11(6-7)8-2-1-3-8/h7-8H,1-4,6H2
InChI Key:
PDWOWBJVRYJTFV-UHFFFAOYSA-N
SMILES:
N#CC1CC(=O)N(C1)C1CCC1
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties