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
   -2.1721   -1.1933   -1.8485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3074   -0.4993   -0.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3815    0.4487   -0.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2552    1.0172    0.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0678    0.4609    1.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6539    0.7870    2.4325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032   -0.4778    0.3652 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3263   -1.2492    0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9116   -0.5495    0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1391   -1.1557    0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3199   -0.5363   -0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864    0.7047   -0.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0527    1.3186   -0.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8941    0.6951   -0.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2121    0.7203   -1.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8932    1.7596    1.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3307   -2.2512    0.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1627   -1.4368    1.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937   -2.1378    0.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2537   -1.0775    0.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2157    1.1603   -1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0628    2.2941   -1.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0637    1.1982   -0.5819 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