Monomers

2,5-Pyrrolidinedione, 3-methylene-1-(4-methylphenyl)-

Identifiers

IUPAC name
3-methylidene-1-(4-methylphenyl)pyrrolidine-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12(13)15/h3-6H,2,7H2,1H3
InchI Key
CFKWVBVWGCLNHU-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)N1C(=O)CC(=C)C1=O
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Isomeric SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
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
1.8145
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
    4.6026   -0.0151    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1209   -0.0530   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197    0.9014    0.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0485    0.9213    0.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3058   -0.0345    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0326   -0.9932   -0.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4175   -1.0058   -0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1047    0.0020    0.0689 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8769    0.7122    1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5092    1.0772    2.1920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2425    0.9686    0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4016   -0.2821   -0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5719   -0.8592   -0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0664   -0.6086   -0.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8194   -1.3251   -1.7773 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0285    0.3909   -0.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0400   -1.0119    0.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9408    0.6465    0.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9650    1.6593    1.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5266    1.6945    1.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4891   -1.7559   -1.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -1.7723   -1.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1506    1.8557   -0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0164    1.0873    1.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4536   -0.4497   -0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6369   -1.7505   -1.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 12 14  1  0
 14 15  2  0
  7  2  1  0
 14  8  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  6 21  1  0
  7 22  1  0
 11 23  1  0
 11 24  1  0
 13 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers