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
    5.9669    0.0712    0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5158   -0.1834    0.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1696   -0.5997    1.9130 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483    0.0608   -0.1971 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1592   -0.1221   -0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -0.5641    1.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0786   -0.7034    1.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6599   -0.3964   -0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0098    0.0534   -1.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3775    0.1842   -1.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0251   -0.5548   -0.0400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9262    0.3989    0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4814    1.5247    0.6933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3411    0.0925    0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7582   -1.1027    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2894    1.1425    0.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1234    0.1916   -0.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5446   -0.8065    0.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2567    1.0109    0.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9511    0.4195   -1.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016   -0.8135    1.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4117   -1.0610    1.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5845    0.2881   -2.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8364    0.5479   -2.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1224   -1.8948   -0.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8333   -1.3352    0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3173    0.7174    0.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0447    1.4524    1.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2069    1.9817    0.0833 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