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
    4.5093    0.3379    0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0501    0.2050    0.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070   -1.0571    0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550   -1.1924    0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3051   -0.1004    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8825    1.1413    0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2322    1.2916    0.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0823   -0.2444   -0.2753 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7136   -1.3285   -0.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2383   -2.4695   -1.1343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0421   -0.8996   -1.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4050    0.1111   -0.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6153    0.4276   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1304    0.6477    0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0308    1.7578    0.7012 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6682    1.0712    1.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561   -0.6450    1.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0812    0.5911   -0.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1916   -1.8842    0.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8010   -2.1816   -0.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2996    2.0445    0.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6528    2.2723    0.6871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7755   -1.7290   -1.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9420   -0.3573   -2.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7568    1.1691    0.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4598   -0.0647   -0.4514 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