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
   -1.2175   -1.4304    2.4995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5010   -0.7649    1.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6344   -1.1023    0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9037    0.2208   -0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0451    0.6160   -0.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6841    1.0030    0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4507    2.0747   -0.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8421    0.3851    1.0123 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4738    0.9088    1.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342    0.3626    0.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189   -0.5240   -0.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2162   -1.0399   -1.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5401   -0.6967   -1.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8609    0.1888   -0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8528    0.7085    0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3524   -1.8609   -0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5358   -1.4109    1.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8799   -0.0605   -0.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1051    1.5960   -1.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6082    0.5938    2.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4179    2.0171    1.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713   -0.7994   -0.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9256   -1.7386   -2.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3081   -1.1239   -1.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9055    0.4748    0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1183    1.4024    1.5043 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