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
    1.6975   -0.6746   -2.3527 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1344   -0.4764   -1.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3074   -1.1027   -0.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3816   -0.6012    0.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219    0.3516    0.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1068    1.0165    1.9774 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5220    0.4298   -0.2720 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3603    1.2360   -0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9001    0.5705   -0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9444   -0.7013    0.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1534   -1.2707    0.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3515   -0.5888    0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3069    0.6877    0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0845    1.2527   -0.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9471   -1.8367   -1.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1475   -0.8694    1.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2497    1.5537   -1.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4485    2.1491    0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0562   -1.2853    0.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2014   -2.2590    1.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2804   -1.0595    0.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2291    1.2180   -0.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1167    2.2600   -0.6982 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