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
    4.7691    0.0579    0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2913    0.0307    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380   -0.3980   -0.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3749   -0.4404   -1.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672   -0.0516   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0434    0.3715    0.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4293    0.4183    1.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9135   -0.1200   -0.4623 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9877    0.0895    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7334    0.3730    1.6092 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3586   -0.0135   -0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6647   -0.3071   -1.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4323    0.2285    0.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0009    0.1971    1.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1467   -0.9039   -0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1714    0.8557   -0.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069   -0.7103   -1.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9609   -0.7879   -2.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4039    0.6903    1.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8305    0.7618    2.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1693   -0.3576   -1.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0098   -0.5010   -2.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7423   -0.3685   -1.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2049    1.1348    1.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4127    0.3846    0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4054   -0.6337    1.7073 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