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
    0.5182    0.4221    1.7605 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1920    0.1653    0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414   -0.1576    0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7716   -0.4152   -0.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1287   -0.7181   -1.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9729   -0.7654    0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4577   -0.5091    1.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1158   -0.2125    1.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1204    0.1839   -0.4723 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4805    0.4822   -0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0752    0.7833    0.8026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3614    0.4649   -1.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8761    0.1892   -2.6351 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7117    0.7524   -1.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1596   -0.3911   -1.7557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5447   -0.9209   -2.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0197   -0.9998   -0.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1431   -0.5521    2.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7256   -0.0117    2.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7583   -0.0481   -1.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1746    1.0056    0.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6215    0.8459    1.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3907    0.4070   -2.1231 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