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
    1.9115   -0.3845    2.2596 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1928   -0.2872    1.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984    0.3156    0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3930    0.2612   -0.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1687   -0.3877   -1.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717   -0.6393   -2.4152 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4184   -0.7310   -0.0798 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1495   -1.3823    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9923   -0.4651    0.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8071    0.8891   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9120    1.7588   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1819    1.2428    0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3798   -0.1083    0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2679   -0.9394    0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1884    0.7483    1.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1725    0.6398   -1.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886   -2.0987   -0.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1960   -2.0162    0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1592    1.3637   -0.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7621    2.8332   -0.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0320    1.9262    0.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3904   -0.5287    0.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4832   -2.0103    0.2832 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