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
    4.7705    0.1156   -0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2988    0.0004   -0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7497   -0.6907    1.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3895   -0.7897    1.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4787   -0.1957    0.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0332    0.4856   -0.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    0.5883   -0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9112   -0.3592    0.5677 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9767    0.2496   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6989    1.0543   -1.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3717    0.0186    0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7202   -0.7787    1.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4220    0.7237   -0.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2705   -0.7039    0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9300    0.0372   -1.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1465    1.0882    0.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4639   -1.1466    1.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9912   -1.3375    2.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210    0.9614   -1.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8317    1.1382   -1.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126   -1.0190    1.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0677   -1.3377    1.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7913   -0.9336    1.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3890    0.4753   -1.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2099    1.8261   -0.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4279    0.5300   -0.1371 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