Monomers

N-(prop-2-enoylcarbamoyl)benzamide

Identifiers

IUPAC name
N-(prop-2-enoylcarbamoyl)benzamide
InchI
InChI=1S/C11H10N2O3/c1-2-9(14)12-11(16)13-10(15)8-6-4-3-5-7-8/h2-7H,1H2,(H2,12,13,14,15,16)
InchI Key
HXQZJPDUZXJWFP-UHFFFAOYSA-N
SMILES
C=CC(=O)NC(=O)NC(=O)c1ccccc1
Canonical SMILES
C=CC(=O)NC(=O)NC(=O)C1=CC=CC=C1
Isomeric SMILES
C=CC(=O)NC(=O)NC(=O)C1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10N2O3
Heavy Atom Count
16
Molecular Weight
218.212
Exact Molecular Weight
218.0691
Valence Electrons
82
Radical Electrons
0
tPSA
75.27
MolLogP
0.8386
H Bond Acceptors
3
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

 26 26  0  0  0  0  0  0  0  0999 V2000
   -4.9099   -1.7187    1.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6623   -1.6555    0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5743   -1.1761   -0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3882   -1.1355   -1.8098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3215   -0.5500    0.3135 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729   -0.1655   -0.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4945   -0.1956   -1.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3917    0.3517    0.1599 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.2675   -1.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5352   -0.0681   -2.0921 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1159    0.6477   -0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4925    0.2732    0.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7110    0.6247    1.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5838    1.3831    0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2322    1.7706   -0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0223    1.4087   -1.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2427   -1.3733    2.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8476   -2.1449    1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5313   -2.0806   -0.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9227   -0.8225    1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2436    0.6552    0.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8371   -0.3243    1.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343    0.2963    2.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5244    1.6728    1.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9384    2.3658   -1.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347    1.6934   -2.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  5 20  1  0
  8 21  1  0
 12 22  1  0
 13 23  1  0
 14 24  1  0
 15 25  1  0
 16 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers