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
   -4.6979   -0.0966    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2056    0.0172    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5684    1.2319    0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1934    1.3105    0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4035    0.1689    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0478   -1.0071   -0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -1.1174   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9798    0.3298   -0.0332 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9415   -0.7047    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5749   -1.8947    0.0837 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713   -0.3571   -0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2757   -1.2917   -0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7893    1.0623   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1726    0.7896   -0.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0521   -0.0825    1.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0112   -0.9802   -0.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1702    2.1427    0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7033    2.2905    0.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5361   -1.9278   -0.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9370   -2.0749   -0.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3803    1.3412   -0.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3234   -1.0605   -0.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9818   -2.3221    0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534    1.6184    0.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4089    1.4320   -1.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8635    1.1822   -0.0322 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