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
    1.8965    0.9491   -2.2931 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1969    0.7309   -1.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1926    1.4029   -0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2020    0.8822    0.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2019   -0.1765    1.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.9035    2.0266 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5882   -0.2500   -0.2645 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5325   -1.1900   -0.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8110   -0.6268   -0.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8968   -1.4327   -0.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1881   -0.9867   -0.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4230    0.2741    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3252    1.0772    0.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0398    0.6157    0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8338    2.2207   -0.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8533    1.1879    1.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6145   -2.1243    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6152   -1.4884   -1.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7785   -2.4401   -0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0270   -1.6428   -0.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4439    0.5900    0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5155    2.0693    0.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2017    1.2618    0.4037 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