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
    4.5238    0.2840    0.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0501    0.1883    0.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2683    0.5494    1.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9025    0.4278    1.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.0276    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1107   -0.3745   -0.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4791   -0.2749   -0.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1079   -0.1464    0.0936 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793   -1.2898   -0.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4037   -2.2013   -1.1494 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1650   -1.2242    0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4082    0.2363    0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5209    0.9104    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0778    0.8308    0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8959    1.9634    0.9590 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9318    0.3982   -0.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9857   -0.6363    0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8963    1.1541    1.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7602    0.8957    2.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2787    0.6949    2.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7035   -0.7452   -1.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1257   -0.5538   -1.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8910   -1.7976   -0.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0830   -1.5939    1.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4313    0.3628   -0.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5567    1.9698    0.0600 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