Monomers

1-Benzyl-3-methylenepyrrolidine-2,5-dione

Identifiers

IUPAC name
1-benzyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-6H,1,7-8H2
InchI Key
OGHZHVONWMXUPW-UHFFFAOYSA-N
SMILES
O=C1CC(=C)C(=O)N1Cc1ccccc1
Canonical SMILES
C=C1CC(=O)N(C1=O)CC2=CC=CC=C2
Isomeric SMILES
C=C1CC(=O)N(C1=O)CC2=CC=CC=C2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.5017
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

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.2083   -1.1450    2.2611 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5332   -0.7373    1.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5491   -1.4379    0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9393   -0.4173   -0.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0281   -0.4194   -1.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8854    0.5883   -0.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7295    1.5226   -1.5240 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0339    0.3991    0.4212 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    1.1585    0.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3751    0.6518    0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5419    1.3113    0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7736    0.9124    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8387   -0.1609   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6749   -0.8480   -1.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4598   -0.4218   -0.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385   -2.3528   -0.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4543   -1.7047    0.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7631   -1.1849   -1.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1723    0.4035   -2.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2668    1.1498    1.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0449    2.2327    0.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5542    2.1764    1.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6727    1.4491    0.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8023   -0.4870   -1.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7611   -1.6952   -1.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5520   -0.9433   -0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  8  2  1  0
 15 10  1  0
  3 16  1  0
  3 17  1  0
  5 18  1  0
  5 19  1  0
  9 20  1  0
  9 21  1  0
 11 22  1  0
 12 23  1  0
 13 24  1  0
 14 25  1  0
 15 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers