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
    1.1895    0.3962    2.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5243    0.2587    1.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6235    1.0472    0.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9240    0.3037   -0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    0.4809   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8044   -0.5955   -0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -1.2487   -1.7654 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9588   -0.6220    0.4545 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2486   -1.4020    0.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4477   -0.6432    0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6850   -1.2484    0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8497   -0.6254   -0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7447    0.6569   -0.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5104    1.2898   -0.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655    0.6374   -0.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5570    1.0201    1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3128    2.0817    0.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1599   -0.0881   -2.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7727    1.1889   -0.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2252   -2.3439    0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015   -1.6912    1.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7706   -2.2572    0.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8137   -1.1416   -0.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6358    1.1638   -1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3956    2.2931   -1.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3849    1.0887   -0.4198 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