Monomers

N-Benzylmaleimide

Identifiers

IUPAC name
1-benzylpyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InchI Key
MKRBAPNEJMFMHU-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1Cc1ccccc1
Canonical SMILES
C1=CC=C(C=C1)CN2C(=O)C=CC2=O
Isomeric SMILES
C1=CC=C(C=C1)CN2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.1116
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.0284   -1.9621   -1.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2569   -0.9234   -0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3080   -0.7112    0.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2105    0.5021    1.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793    1.1962    0.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6999    2.3869    0.7401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4991    0.2925   -0.4535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3387    0.5452   -1.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9235    0.1512   -0.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5694    1.0986    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7441    0.7912    0.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2698   -0.4880    0.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197   -1.4334   -0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4455   -1.1235   -0.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0649   -1.4435    0.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8626    0.9499    1.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3341    1.5846   -1.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4438   -0.1005   -2.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1399    2.1049    0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2286    1.5650    1.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2003   -0.7050    1.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0648   -2.4280   -0.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9209   -1.8496   -1.3396 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
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 14  9  1  0
  3 15  1  0
  4 16  1  0
  8 17  1  0
  8 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
 13 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers