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
   -4.5544    0.2031    0.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0805    0.1371    0.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5204   -0.5399   -0.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1516   -0.6384   -0.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069   -0.0520   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8842    0.6221    1.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2610    0.7384    1.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1218   -0.1523   -0.1634 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7663   -0.9186   -1.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687   -1.8809   -1.8620 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1620   -0.3612   -1.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4045    0.0471    0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5575    0.0450    0.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0904    0.4661    0.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9748    1.2224    1.6270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8367    0.6183    1.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0082    0.7646   -0.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9702   -0.8394    0.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1785   -1.0186   -1.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7843   -1.1903   -1.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2680    1.1075    1.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6842    1.2737    2.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0891    0.5127   -1.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8657   -1.1418   -1.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6421    0.3665    1.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4462   -0.2887    0.1809 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