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
    4.7180    0.3096    0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2317    0.2105    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5745   -0.5610    1.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026   -0.6790    1.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4174   -0.0102    0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0762    0.7468   -0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4591    0.8637   -0.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9844   -0.1777    0.2567 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9579    0.2565   -0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6042    0.8594   -1.7199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3868    0.0160   -0.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2617    0.4393   -1.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7628   -0.6886    0.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0912   -0.6764    0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625    0.4563   -0.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0246    1.1531    0.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1447   -1.1016    1.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6979   -1.2960    1.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5067    1.2843   -1.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8965    1.4755   -1.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3945   -0.6776    1.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9449    0.9471   -2.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3033    0.2683   -1.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625   -0.8386    0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2268   -1.6787    0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4138   -0.0921    1.6840 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