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
    4.7355   -0.4020   -0.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -0.3337   -0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270    0.3683   -1.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0548    0.4477   -0.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4922   -0.1691    0.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3562   -0.8834    1.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7049   -0.9545    0.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8775   -0.1672    0.5664 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9475    0.3909   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6863    0.9640   -1.2556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3404    0.3694    0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7328   -0.1877    1.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4021    1.0020   -0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3390    0.1860    0.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9202   -0.1199   -1.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0564   -1.4696   -0.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8546    0.8738   -1.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4523    1.0163   -1.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9594   -1.3942    1.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3883   -1.5142    1.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1806   -0.6335    1.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -0.6583    2.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745   -0.1903    1.6341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0606    1.0599   -1.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6532    2.0199   -0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3147    0.3795   -0.5252 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