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
   -5.9187   -0.4123   -0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4528   -0.5197   -0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0902   -1.3704   -1.4275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5534    0.3027    0.0774 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1400    0.2890   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4177   -0.6128   -0.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0209   -0.5470   -0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6745    0.4453   -0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0259    1.3462    0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3861    1.2855    0.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0577    0.4457   -0.4099 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108   -0.2373    0.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3809   -0.8659    1.3842 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3609   -0.2333    0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1134   -0.8909    1.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9619    0.5306   -0.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2887   -1.3914    0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1430    0.3433    0.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4658   -0.1653   -1.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9780    0.9982    0.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9362   -1.4106   -1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4948   -1.2885   -1.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5549    2.1227    0.9684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9089    2.0310    1.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1921   -0.8981    1.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7099   -1.4531    1.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9665    0.8837   -0.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3055    1.3841   -1.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0425   -0.1112   -1.7165 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