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
    0.2371   -1.7394   -1.1643 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1027   -0.6944   -0.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2327   -0.1913   -0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3136   -0.8555   -0.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6133   -0.4491   -0.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8609    0.6314    0.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8096    1.3064    0.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5148    0.8755    0.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2758   -0.0788   -0.0047 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6107   -0.4400   -0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9823   -1.4672   -0.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6820    0.3988    0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8897    0.1378    0.2273 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406    1.4997    1.1220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1421   -1.7152   -1.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4309   -0.9706   -0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8897    0.9353    0.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0377    2.1487    1.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7076    1.4161    1.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0900    0.8043    0.5933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3438   -2.1610   -1.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586   -1.6884   -1.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9397    2.2967    1.2890 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