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
    1.5003    0.8648    2.4885 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9639    0.5315    1.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1701    1.1325    0.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003    0.5795   -0.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3611   -0.4137   -0.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2679   -1.1271   -1.6694 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4497   -0.4555    0.4521 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911   -1.2708    0.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9460   -0.6448    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8576    0.5984   -0.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9802    1.2311   -0.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2304    0.6461   -0.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3059   -0.5977   -0.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1830   -1.2440    0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7571    1.9062    1.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2172    0.8268   -1.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1380   -1.3615    1.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4225   -2.3122    0.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1299    1.0763   -0.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9005    2.2061   -1.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1244    1.1328   -1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2796   -1.0817   -0.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2614   -2.2231    0.6573 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