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
    5.9307    0.3422    0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    0.6126    0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1602    1.7417   -0.2696 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4994   -0.3845    0.2995 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1074   -0.2658    0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4831    0.8040   -0.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1261    0.8168   -0.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6775   -0.2133   -0.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -1.3165    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2937   -1.3532    0.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0347   -0.2790   -0.5536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8699    0.1726    0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3074    0.6251    1.4827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3275    0.1325    0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0435    0.5805    1.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0270   -0.3909   -0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5685    1.1246   -0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0304    0.4180    1.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2208   -0.6758    0.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8591   -1.3293    0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0744    1.6570   -0.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3287    1.6899   -1.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6520   -2.1718    0.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7468   -2.2467    0.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5567    0.9673    2.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1189    0.5822    1.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2691   -1.4578   -0.6637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9690    0.1718   -1.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3370   -0.3543   -1.7024 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