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
    1.9412   -0.9116    2.1817 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1984   -0.3555    1.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2944    0.5784    0.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2889    0.9809   -0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1874    0.3487   -1.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651    0.4901   -2.3529 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5230   -0.4839   -0.1638 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3675   -1.3090   -0.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002   -0.5871   -0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9201    0.7228    0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1262    1.3852    0.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3313    0.7310    0.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2836   -0.5746   -0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1043   -1.2231   -0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016    0.8805    1.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9870    1.6839   -0.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3412   -1.6864   -1.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4038   -2.1771    0.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0106    1.2338    0.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1684    2.4093    0.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2839    1.2362    0.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2007   -1.1220   -0.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0914   -2.2505   -0.6979 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