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
   -4.6901    0.2778    0.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2688    0.2315    0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2696    0.1619    1.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.1160    0.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5032    0.1381   -0.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5347    0.2098   -1.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8593    0.2541   -0.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8426    0.0795   -0.7914 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9846   -0.2262   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8374   -0.4894    1.2065 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3331   -0.2605   -0.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6182   -0.0092   -1.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4682   -0.5983    0.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3534    0.6451   -0.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0545   -0.7011    1.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8424    0.9880    1.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5287    0.1404    2.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1705    0.0703    1.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2269    0.2278   -2.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6531    0.3097   -1.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0234    0.2876   -1.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6535   -0.0447   -2.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8336    0.2403   -2.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2915   -0.1069    1.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5450   -1.7020    0.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4341   -0.2396   -0.0407 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