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
   -1.3415   -2.6320    0.1247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6109   -1.3905    0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7873   -0.8327   -0.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9232    0.5292   -0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9839    1.3334   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6678    0.8391    0.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3780    2.0206    0.9323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8734   -0.3303    0.6458 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4254   -0.3727    1.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5290   -0.1215    0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0226    1.1396    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0556    1.3199   -0.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6123    0.2310   -1.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1334   -1.0393   -1.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0841   -1.2012   -0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6405   -1.4941   -0.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5830   -0.8434   -1.7825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8576    0.9774   -0.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0041    2.3049    0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5178   -1.3714    1.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4746    0.3997    2.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6041    2.0231    0.5458 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4572    2.3026   -1.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4221    0.3323   -2.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5554   -1.9016   -1.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7576   -2.2222   -0.1985 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