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
   -1.6427   -2.0807   -1.4459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6995   -1.0509   -0.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6091   -0.8876    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8770    0.5917    0.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9871    1.1847    0.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6510    1.1810   -0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3308    2.3952    0.0189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9471    0.1522   -0.8214 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3224    0.2944   -1.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4753    0.0343   -0.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0794    1.0328    0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1670    0.8039    0.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6662   -0.4976    1.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0778   -1.5115    0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9920   -1.2377   -0.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1563   -1.1108    1.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5837   -1.3985    0.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8034    0.5939    1.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0808    2.2533    0.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3915    1.3077   -2.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2848   -0.4194   -2.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6972    2.0278    0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6596    1.5707    1.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5226   -0.6669    1.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4683   -2.5064    0.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644   -2.0555   -1.0610 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