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
   -1.8154    1.3403   -1.9605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1295    0.7086   -0.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2178    1.0082    0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2156    0.1248    1.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1304   -0.8181    0.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8419   -1.7901    1.5497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4640   -0.4369   -0.3900 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2964   -1.1177   -0.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9427   -0.4837   -0.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5199   -0.9678    0.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6545   -0.3771    1.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1687    0.7001    0.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5973    1.1853   -0.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4622    0.5928   -1.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8956    1.8584   -0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9311    0.1142    1.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2967   -1.0244   -2.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3096   -2.1826   -0.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0521   -1.8283    1.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0927   -0.7680    2.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0610    1.1736    0.9812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0106    2.0449   -1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9825    0.9433   -1.9904 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