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
   -1.2394   -0.5228    2.7015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5804   -0.2333    1.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6825    0.6858    1.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8765    0.5183   -0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8762    1.0004   -0.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720   -0.2650   -0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5406   -0.5081   -2.0248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9972   -0.7128    0.3144 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -1.5192    0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4255   -0.7102    0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4013    0.6573    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5615    1.4216   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7522    0.7336   -0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7782   -0.6487   -0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6185   -1.3956    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6380    0.4150    1.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4260    1.7491    1.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    1.5797   -0.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8936    0.8020   -2.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276   -2.1941    1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1545   -2.2130   -0.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4480    1.1917    0.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5460    2.5041   -0.0311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6899    1.3047   -0.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7348   -1.1606   -0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6599   -2.4799    0.0071 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