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
    5.9305    0.4622    0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4778    0.5808   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1595    1.5822   -0.6938 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5259   -0.3688    0.3090 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1397   -0.3685    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4684    0.5953   -0.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1196    0.5558   -0.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6238   -0.5024   -0.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103   -1.4870    0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3381   -1.4309    0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0010   -0.5183   -0.7936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8812    0.0774    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4372    0.6162    1.1477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3123    0.0989   -0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8005   -0.4593   -1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2338    0.7417    0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5718    0.2843   -0.5295 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0655   -0.3034    1.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    1.4610    0.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -1.1987    0.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0204    1.4649   -1.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3610    1.3645   -1.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6296   -2.3036    0.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7991   -2.2455    1.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8685   -0.4325   -1.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1155   -0.9233   -1.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6860    1.2707    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9056    1.4837    0.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8245   -0.0973    1.3105 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