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
   -1.9852   -1.1240   -2.0015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2201   -0.5471   -0.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3806    0.3260   -0.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3231    0.7676    0.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1139    0.2028    1.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7064    0.3875    2.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4338   -0.6114    0.2756 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2017   -1.3538    0.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9866   -0.5397    0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4874   -0.5404   -1.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5939    0.2229   -1.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1773    0.9763   -0.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6721    0.9775    0.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738    0.2158    1.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1526    0.5601   -1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0164    1.4224    1.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2286   -2.2127   -0.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1359   -1.6320    1.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359   -1.1314   -1.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0115    0.2394   -2.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0462    1.6001   -0.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1246    1.5675    1.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1889    0.2266    2.1270 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