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
   -0.2816   -1.6851    1.1848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667   -0.6793    0.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3105   -0.2547    0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3774   -0.7685    0.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803   -0.4017    0.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9644    0.4968   -0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9395    1.0204   -1.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6196    0.6382   -0.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1804    0.0228   -0.0430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344   -0.2300    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0054   -1.2088    0.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5102    0.6762   -0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0675    1.6261   -1.1979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8717    0.5119   -0.4098 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1353   -1.4733    1.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4906   -0.8372    1.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750    0.7980   -0.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1473    1.7280   -1.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552    1.0893   -1.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9243    0.8807   -0.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4196   -1.9228    1.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0972   -1.3261    0.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5360    1.2990   -0.4778 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