Home Nitriles 1-(2-methylpropyl)pyrrolidine-3-carbonitrile

1-(2-methylpropyl)pyrrolidine-3-carbonitrile

CAS No.:
1384682-39-6
Catalog Number:
AG019Z7C
Molecular Formula:
C9H16N2
Molecular Weight:
152.2367
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Product Description
Catalog Number:
AG019Z7C
Chemical Name:
1-(2-methylpropyl)pyrrolidine-3-carbonitrile
CAS Number:
1384682-39-6
Molecular Formula:
C9H16N2
Molecular Weight:
152.2367
MDL Number:
MFCD22375226
IUPAC Name:
1-(2-methylpropyl)pyrrolidine-3-carbonitrile
InChI:
InChI=1S/C9H16N2/c1-8(2)6-11-4-3-9(5-10)7-11/h8-9H,3-4,6-7H2,1-2H3
InChI Key:
YXKJVSMPXUNZLK-UHFFFAOYSA-N
SMILES:
N#CC1CCN(C1)CC(C)C
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.131g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.241g/mol
Monoisotopic Mass:
152.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties