Home Other Building Blocks 1-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide

1-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide

CAS No.:
1282172-13-7
Catalog Number:
AG01AH56
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
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Product Description
Catalog Number:
AG01AH56
Chemical Name:
1-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CAS Number:
1282172-13-7
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
MDL Number:
MFCD11173606
IUPAC Name:
1-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C13H15N3O/c14-8-10-4-1-2-5-11(10)9-16-7-3-6-12(16)13(15)17/h1-2,4-5,12H,3,6-7,9H2,(H2,15,17)
InChI Key:
YSNZQEINUOQUDU-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CN1CCCC1C(=O)N
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties