Monomers

2-Benzamidoprop-2-enoic acid

Identifiers

IUPAC name
2-benzamidoprop-2-enoic acid
InchI
InChI=1S/C10H9NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-6H,1H2,(H,11,12)(H,13,14)
InchI Key
LLMQXRYQLCGWJM-UHFFFAOYSA-N
SMILES
O=C(c1ccccc1)NC(=C)C(=O)O
Canonical SMILES
C=C(C(=O)O)NC(=O)C1=CC=CC=C1
Isomeric SMILES
C=C(C(=O)O)NC(=O)C1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H9NO3
Heavy Atom Count
14
Molecular Weight
191.186
Exact Molecular Weight
191.0582
Valence Electrons
72
Radical Electrons
0
tPSA
66.4
MolLogP
1.0147
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.4928    0.0907    2.0757 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2214    0.0231    0.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1883    0.0489    0.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6426   -0.0177   -0.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0090    0.0104   -1.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9405    0.1069   -0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5177    0.1749    1.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1721    0.1458    1.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601   -0.0718   -0.0595 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474   -0.1049    0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2581   -0.0524    1.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571   -0.2111   -0.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7990   -0.2470   -0.8771 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0437   -0.2753   -2.2844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9347   -0.0948   -1.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2869   -0.0473   -2.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9971    0.1258   -0.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2686    0.2516    1.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8642    0.2019    2.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698   -0.1268   -1.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6802    0.0248    2.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3499   -0.0848    1.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5422    0.1291   -3.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  2  9  1  0
  9 10  1  0
 10 11  2  3
 10 12  1  0
 12 13  2  0
 12 14  1  0
  8  3  1  0
  4 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
 11 21  1  0
 11 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers