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
    4.7181    0.2051    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375    0.1549   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    0.7688    0.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.6882    0.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3952   -0.0046   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2433   -0.6328   -1.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6035   -0.5379   -1.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9956   -0.1469   -0.3109 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9399    0.1327    0.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5729    0.5469    1.8108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3765   -0.0492    0.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2269    0.2232    1.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7987   -0.5266   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1019    0.8585   -0.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1317   -0.8059   -0.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0349    0.6266    0.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8952    1.3246    1.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459    1.2124    1.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425   -1.1832   -1.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1892   -1.0466   -1.7755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3755   -0.4945   -1.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3172    0.1086    1.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8733    0.5748    2.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4987   -1.5778   -1.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3187    0.0834   -1.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9050   -0.5026   -0.9659 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