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
    4.6924   -0.5146   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2343   -0.2754    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3424   -1.1712   -0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9711   -0.9716   -0.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4282    0.1471    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3150    1.0809    0.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6635    0.8479    0.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9539    0.4240    0.1091 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0086   -0.4748   -0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7619   -1.6439   -0.4863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4073   -0.0527   -0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3399   -0.9314   -0.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7008    1.3274    0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0751   -0.4849   -1.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1690    0.3439    0.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.4320    0.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310   -2.0792   -0.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3359   -1.7174   -0.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9119    1.9986    1.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3256    1.5873    1.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2233    1.4255    0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1201   -1.9442   -0.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3701   -0.6323   -0.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7511    1.6037    0.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0660    2.0871   -0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4891    1.4522    1.4272 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