Monomers

4-(Acetylamino)phenyl 2-methyl-2-propenoate

Identifiers

IUPAC name
(4-acetamidophenyl) 2-methylprop-2-enoate
InchI
InChI=1S/C12H13NO3/c1-8(2)12(15)16-11-6-4-10(5-7-11)13-9(3)14/h4-7H,1H2,2-3H3,(H,13,14)
InchI Key
PZJZQKCKFRXTMP-UHFFFAOYSA-N
SMILES
CC(=O)Nc1ccc(cc1)OC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)OC1=CC=C(C=C1)NC(=O)C
Isomeric SMILES
CC(=C)C(=O)OC1=CC=C(C=C1)NC(=O)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H13NO3
Heavy Atom Count
16
Molecular Weight
219.24
Exact Molecular Weight
219.0895
Valence Electrons
84
Radical Electrons
0
tPSA
55.4
MolLogP
2.1265
H Bond Acceptors
3
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

 29 29  0  0  0  0  0  0  0  0999 V2000
    5.9403   -0.0711   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    0.1672    0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2134    1.0063    1.2265 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4717   -0.5449   -0.2900 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914   -0.4532   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    0.2855    0.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1249    0.3564    1.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6996   -0.3374    0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1366   -1.0907   -0.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2247   -1.1609   -0.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0571   -0.2826    0.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8717    0.6504   -0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3530    1.4926   -0.9811 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3058    0.5939    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0714    1.4846   -0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9104   -0.4191    0.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5303    0.1447    0.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0597   -1.1322   -0.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2390    0.5486   -0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8377   -1.2422   -1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018    0.8611    1.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3025    0.9596    1.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7670   -1.6593   -1.4483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -1.7497   -1.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1596    1.4757   -0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6752    2.2363   -1.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2359    0.0123    1.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7947   -0.8950    0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2002   -1.2370    1.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  3
 14 16  1  0
 10  5  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  4 20  1  0
  6 21  1  0
  7 22  1  0
  9 23  1  0
 10 24  1  0
 15 25  1  0
 15 26  1  0
 16 27  1  0
 16 28  1  0
 16 29  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers