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
    5.9029    0.7386   -0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4796    0.6558    0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2384    0.5005    1.3479 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4356    0.7571   -0.8144 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0431    0.7024   -0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.7052   -1.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2269    0.6600   -1.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7623    0.6105   -0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1026    0.6063    0.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4736    0.6521    0.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1180    0.5632    0.1402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8205   -0.6238    0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1548   -1.6776    0.1005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2652   -0.6559    0.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9259    0.4576    0.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9126   -1.9874    0.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9676    0.5671   -1.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3053    1.7276   -0.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365   -0.0285    0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7434    0.8872   -1.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5654    0.7448   -2.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983    0.6637   -2.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2812    0.5672    1.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0935    0.6503    1.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9810    0.4023    0.9507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4740    1.4328    0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6204   -2.4675    1.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5629   -2.6091   -0.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0124   -1.8153    0.6400 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