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
    1.2914   -0.8646   -2.3523 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6933   -0.5489   -1.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9722    0.1111   -0.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9059    0.4237    0.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7915    1.1292    1.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6939   -0.1971    1.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3638   -0.1957    2.2921 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9573   -0.7878   -0.0054 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2949   -1.4904    0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4545   -0.5778   -0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7141   -1.1530    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8629   -0.4017   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7599    0.9578   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5020    1.5307   -0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3472    0.7680   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8378   -0.5645   -1.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0488    1.0148   -1.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6700    1.3134    2.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6602    1.5442    0.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -2.0301    1.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -2.2659   -0.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8211   -2.2349    0.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8581   -0.8141    0.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6510    1.5644   -0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4438    2.5817   -0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3635    1.1875   -0.3101 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