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
   -1.7852    0.2329   -2.3898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1649    0.2244   -1.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2936    0.9393   -0.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3358    0.6515    0.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2288   -0.2701    1.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9713   -0.7473    2.1771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4927   -0.5381   -0.1570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3244   -1.3868   -0.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368   -0.6182   -0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4809   -0.5343    1.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6457    0.1696    1.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720    0.7956    0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551    0.7320   -0.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5846    0.0176   -1.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9763    1.5902   -1.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0590    1.0267    1.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138   -1.7423   -1.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3885   -2.2782    0.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9859   -1.0327    1.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0548    0.2219    2.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956    1.3595    0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2697    1.2343   -1.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1532   -0.0472   -2.1601 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