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
   -1.6168   -2.3645    0.9523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0399   -1.2197    0.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1744   -0.4998    1.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3130    0.6929    0.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2947    0.8478   -0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1227    1.8312   -1.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5352   -0.3372   -0.3538 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4050   -0.6570   -1.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862   -0.2249   -0.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6165   -1.0501    0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8140   -0.6092    0.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073    0.6358    0.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5762    1.4756   -0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3789    1.0373   -0.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7605   -0.9282    2.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0706    1.4025    0.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5185   -0.1731   -2.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -1.7456   -1.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2404   -2.0426    0.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4061   -1.2651    1.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2514    1.0098    0.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9635    2.4795   -0.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7983    1.7046   -1.5368 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