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
    4.5772    0.1487   -0.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    0.1223   -0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2880    1.1496   -0.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9253    1.0836   -0.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3231   -0.0036    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1376   -1.0440    0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4951   -0.9581    0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0929   -0.0465    0.2303 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7829   -0.4534    1.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3146   -0.5527    2.5726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2054   -0.7635    1.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4277    0.1070   -0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5841    0.5712   -0.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1092    0.3027   -0.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348    0.7165   -1.8922 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8774    0.4639   -1.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9561   -0.9082   -0.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0881    0.7252    0.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7453    1.9951   -1.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2688    1.8836   -0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6954   -1.9208    0.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1751   -1.7550    0.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2095   -1.8505    0.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8868   -0.5600    1.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4918    0.3446    0.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6169    1.2023   -1.3805 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