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
    4.6406   -0.3546    0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1472   -0.3155    0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3769   -0.1332    1.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0147   -0.0989    1.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003   -0.2499    0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1841   -0.4287   -0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5795   -0.4656   -0.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9978   -0.2139    0.2576 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7846   -0.1101   -0.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2997   -0.0344   -2.0543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2532   -0.0837   -0.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9715    0.0138   -1.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8854   -0.1673    0.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9975    0.4701   -0.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9832   -1.3388    0.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9738   -0.1955    1.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8881   -0.0183    2.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4265    0.0449    2.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7656   -0.5604   -1.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1600   -0.6115   -1.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5503   -0.2674    1.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5268    0.0789   -2.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0522    0.0381   -1.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8268   -1.1625    0.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9687    0.1213    0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4209    0.5428    1.2496 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