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
   -2.2702    1.3954   -1.4475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3788    0.6113   -0.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3780    0.6683    0.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1448   -0.3274    1.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9771   -1.0913    0.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4431   -2.1053    1.5018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069   -0.4895   -0.2198 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3809   -0.9128   -1.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8837   -0.2771   -0.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3432    0.9157   -1.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5282    1.4709   -0.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3139    0.8553    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8785   -0.3491    0.7625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6700   -0.8889    0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1912    1.4041    0.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7006   -0.5755    2.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6355   -0.6554   -2.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -2.0080   -1.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6964    1.3773   -1.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8568    2.4083   -1.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2510    1.2694    0.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600   -0.8685    1.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3563   -1.8271    0.7693 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