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
    6.0316   -0.3569    0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8273   -0.1126    0.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6996   -0.5173    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5561   -1.0437   -0.9621 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2185   -0.0881    0.8609 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3248   -0.5121   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5709   -1.0796   -1.2098 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0942    0.0527    0.2766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9306   -0.4688   -1.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3908   -1.0723   -1.8369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2873   -0.0500   -0.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5630    1.2879   -0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8439    1.7313   -0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8696    0.8487   -0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6722   -0.4961   -0.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3560   -0.9273   -0.8362 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2628   -0.8385   -0.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9193   -0.0536    0.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7964    0.3787    1.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6962    0.1359    1.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6212    0.3810    0.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7557    1.9772   -0.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0665    2.7961   -0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9153    1.1883   -0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5032   -1.1831   -0.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2224   -1.9779   -1.0642 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