Monomers

2-methyl-N-(4-methylphenyl)prop-2-enamide

Identifiers

IUPAC name
2-methyl-N-(4-methylphenyl)prop-2-enamide
InchI
InChI=1S/C11H13NO/c1-8(2)11(13)12-10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3,(H,12,13)
InchI Key
NHWUBQGSEPRUOV-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)NC(=O)C(=C)C
Canonical SMILES
CC1=CC=C(C=C1)NC(=O)C(=C)C
Isomeric SMILES
CC1=CC=C(C=C1)NC(=O)C(=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H13NO
Heavy Atom Count
13
Molecular Weight
175.231
Exact Molecular Weight
175.0997
Valence Electrons
68
Radical Electrons
0
tPSA
29.1
MolLogP
2.5096
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
    4.7629    0.3153    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039    0.0909    0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238   -0.8654   -0.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724   -1.0623   -0.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4960   -0.2920   -0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0387    0.6662    0.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    0.8438    0.7714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9008   -0.5290   -0.1594 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9571    0.2825    0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6551    1.4083    0.7885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3684   -0.0612    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7640   -1.1841   -0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3816    0.9126    0.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0054    0.4687    1.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3562   -0.5377   -0.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0608    1.2801   -0.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4047   -1.4708   -1.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9306   -1.8274   -1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4129    1.2950    1.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8005    1.6220    1.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -1.4628   -0.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8169   -1.4060   -0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0809   -1.9134   -0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9456    1.6731    1.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8503    1.3598   -0.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2034    0.3939    1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 11 13  1  0
  7  2  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
 12 22  1  0
 12 23  1  0
 13 24  1  0
 13 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers