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
    4.5917    0.4233    0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1175    0.2792    0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244   -0.4569    1.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0548   -0.6050    0.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3166   -0.0348   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0106    0.6977   -0.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3930    0.8558   -0.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1049   -0.1984   -0.1302 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8115   -1.3016   -0.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3453   -2.1532   -1.4837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2164   -1.2783   -0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4295    0.1644    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5892    0.7712    0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1020    0.7130    0.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8748    1.8129    0.8975 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9640    1.1440   -0.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1266   -0.5387    0.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8882    0.7068    1.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9941   -0.9195    1.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061   -1.1824    1.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4497    1.1576   -1.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9271    1.4384   -1.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1562   -1.8105    0.8313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9290   -1.7431   -0.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7166    1.8396    0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4893    0.2184   -0.1865 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