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
   -5.8406   -1.0310    0.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4098   -0.5761    1.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1495    0.3749    1.7976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3673   -1.1885    0.3267 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9928   -0.8944    0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1424   -1.5020   -0.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1932   -1.2489   -0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8088   -0.3836    0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0139    0.2276    1.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4032   -0.0321    1.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1686   -0.1269    0.2643 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459    0.8873   -0.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9748    1.5950   -1.1697 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1621    1.1626   -0.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375    0.4401    0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6647    2.2779   -1.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3639   -0.7534    1.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8557   -2.1315    0.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3006   -0.5787    0.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6816   -1.9927   -0.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6216   -2.1901   -1.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8369   -1.7362   -1.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3861    0.9284    1.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0050    0.4725    1.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0924    0.6689    0.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7085   -0.3680    0.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974    2.0943   -1.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9813    2.3628   -2.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6896    3.2419   -0.7777 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