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
    4.7465   -0.0559    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2525   -0.2145    0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379   -1.4328    0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2751   -1.5267    0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4797   -0.3824    0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0939    0.8241    0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4834    0.9247   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9376   -0.5235    0.1852 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9075    0.4505   -0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5021    1.6022   -0.4591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3425    0.2373   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8966   -0.8934    0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2483    1.3657   -0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1806   -1.0665   -0.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0284    0.6229   -0.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0702    0.4494    0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2663   -2.3353    0.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7536   -2.4680    0.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5832    1.7725   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9761    1.9069   -0.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3454   -1.4738    0.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9854   -1.0215    0.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2805   -1.7391    0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4195    1.3892   -1.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2311    1.2853    0.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7312    2.3030   -0.0686 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