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
   -1.4265   -2.0220    1.7006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9240   -1.0720    1.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0931   -0.2856    1.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3195    0.6128    0.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3321    0.4822   -0.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2029    1.1432   -1.6527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4506   -0.5926   -0.2242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3135   -1.0849   -0.9799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9090   -0.3406   -0.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2843    0.8208   -1.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4147    1.4878   -0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1921    1.0102    0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976   -0.1489    0.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6677   -0.8325    0.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7013   -0.3774    2.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1180    1.3694    0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1733   -2.1443   -0.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5067   -0.9065   -2.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6899    1.2199   -2.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7430    2.4154   -1.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0910    1.5426    0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4016   -0.5432    1.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3704   -1.7537    0.9820 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