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
    1.9374   -2.2259   -0.3063 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177   -1.0052   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3163   -0.2576   -0.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2725    1.0067   -0.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1236    1.1604    0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7737    2.2358    1.0176 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4679   -0.0914    0.6114 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2658   -0.3839    1.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9472   -0.1894    0.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4449   -1.2542   -0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5544   -1.1577   -0.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2252    0.0531   -0.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7414    1.1311   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6156    1.0101    0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0731   -0.6920   -1.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966    1.7708   -0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3692   -1.4104    1.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2484    0.3811    2.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9387   -2.2107   -0.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9357   -2.0137   -1.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1243    0.1773   -1.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2838    2.0826   -0.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2510    1.8832    1.0565 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