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
    1.4259   -2.2949    1.3829 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9301   -1.2847    0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1472   -0.6055    1.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3988    0.4179    0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    0.4400   -0.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2504    1.2551   -1.5298 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4308   -0.6266   -0.3492 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2470   -0.9634   -1.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373   -0.2309   -0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7305   -0.7760    0.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8278   -0.1243    0.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1680    1.1248    0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3694    1.6590   -0.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2735    1.0106   -1.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7741   -0.8444    2.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2401    1.0902    0.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3489   -0.6829   -2.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010   -2.0309   -1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4453   -1.7742    0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4355   -0.5669    1.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0302    1.6839    0.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6572    2.6569   -0.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6716    1.4673   -1.8247 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