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
    4.6827    0.4742   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2368    0.2244    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3556    1.2622   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9993    0.9655   -0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5039   -0.2796    0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4359   -1.3151    0.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7776   -1.0565    0.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8680   -0.6436    0.1946 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9690    0.2376    0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7275    1.4932    0.2379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3592   -0.1923    0.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7329   -1.4370    0.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3863    0.9189    0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9159    0.8149   -1.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0156    1.2887    0.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2610   -0.4650    0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7476    2.2447   -0.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3366    1.7964   -0.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0798   -2.3394    0.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282   -1.8486    0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1309   -1.6776    0.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7891   -1.7053    0.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9999   -2.2219    0.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1725    1.6925   -0.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500    1.2865    1.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3913    0.4821    0.1752 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