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
   -1.9759   -0.5531    2.2409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2322   -0.2325    1.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3529    0.5794    0.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2690    0.6831   -0.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1092   -0.0399   -1.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7010   -0.1698   -2.4222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4641   -0.6131   -0.0982 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2450   -1.4322   -0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9465   -0.5756   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    0.7850    0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9553    1.5816    0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2102    0.9666    0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3437   -0.3988    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1880   -1.1522   -0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1381    1.0364    1.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9688    1.2347   -1.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2922   -2.2475    0.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2051   -1.8952   -1.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1195    1.2980    0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8524    2.6609    0.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0846    1.5865    0.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3245   -0.8679    0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3385   -2.2344   -0.1058 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