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
    0.8723   -2.3900    0.9046 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4970   -1.4699    0.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9148   -1.0653    0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9308    0.3267   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8154    1.2886    0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7709    0.4653   -0.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5773    1.4237   -1.6877 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8959   -0.6393   -0.6750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3739   -0.8538   -1.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5009   -0.2290   -0.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2049   -0.9291    0.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2553   -0.3959    1.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6264    0.9141    0.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9551    1.6536   -0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9024    1.0724   -0.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5255   -1.7570   -0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1965   -1.1131    1.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6491    1.1031    0.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7379    2.2751   -0.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4955   -1.9505   -1.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613   -0.4396   -2.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9144   -1.9474    0.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7701   -1.0001    1.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4581    1.3336    1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2853    2.6699   -0.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3799    1.6537   -1.6076 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