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
    2.1961   -0.7406    1.9224 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3549   -0.2682    0.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4128    0.6086    0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2374    0.8832   -1.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0371    0.1892   -1.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5348    0.2009   -2.6154 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4913   -0.5265   -0.3535 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897   -1.3635   -0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9082   -0.5598    0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983    0.7751    0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0568    1.4681    0.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2776    0.7924    0.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2981   -0.5634    0.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1130   -1.2281    0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2322    0.9859    0.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8757    1.5200   -1.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1106   -1.8526   -1.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4481   -2.1136    0.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0306    1.3082    0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624    2.5334    0.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2016    1.3223    0.9041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2490   -1.0874    0.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1863   -2.2839   -0.1326 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