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
    2.0209   -2.1450    0.9022 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2378   -0.9960    0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3597   -0.1380    0.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3260    0.9942    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1324    0.9520   -0.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8067    1.8849   -1.5694 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4830   -0.2936   -0.5623 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2826   -0.7325   -1.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9486   -0.3306   -0.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036   -1.1445    0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6411   -0.7860    1.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2670    0.4225    0.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7303    1.2612   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5858    0.8696   -0.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1352   -0.3957    1.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0544    1.8095    0.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1617   -0.3000   -2.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2799   -1.8407   -1.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9947   -2.0878    0.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0636   -1.4455    1.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1620    0.7068    1.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2116    2.2074   -0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1722    1.5280   -1.4620 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