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
    1.9225   -2.2522    0.7990 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2196   -1.0542    0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3181   -0.2745    1.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2781    0.9073    0.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1702    0.9764   -0.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8892    2.0029   -1.1821 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5012   -0.2733   -0.4548 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3475   -0.5878   -1.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9093   -0.2399   -0.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8776    0.3021    0.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0942    0.5997    1.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2936    0.3583    0.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3300   -0.1912   -0.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1071   -0.4804   -1.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0544   -0.5903    1.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9812    1.7339    0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3028   -1.7064   -1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3583   -0.0592   -2.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0555    0.5030    1.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1471    1.0338    2.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2401    0.5908    1.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2660   -0.3856   -1.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1336   -0.9132   -2.1707 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