Home Carboxys ethyl 1-benzyl-3-cyanopyrrolidine-3-carboxylate

ethyl 1-benzyl-3-cyanopyrrolidine-3-carboxylate

CAS No.:
1312815-01-2
Catalog Number:
AG01DHXR
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
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Product Description
Catalog Number:
AG01DHXR
Chemical Name:
ethyl 1-benzyl-3-cyanopyrrolidine-3-carboxylate
CAS Number:
1312815-01-2
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
MDL Number:
MFCD27943417
IUPAC Name:
ethyl 1-benzyl-3-cyanopyrrolidine-3-carboxylate
InChI:
InChI=1S/C15H18N2O2/c1-2-19-14(18)15(11-16)8-9-17(12-15)10-13-6-4-3-5-7-13/h3-7H,2,8-10,12H2,1H3
InChI Key:
BDIBKSVAAYKVKG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(C#N)CCN(C1)Cc1ccccc1
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties