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
   -4.4242    0.8351   -0.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0041    0.4610   -0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5889   -0.8503   -0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2565   -1.1307   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384   -0.1221    0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7726    1.2057    0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0996    1.4826   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0428   -0.3522    0.4114 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6507   -1.3523    1.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1112   -1.9423    2.1785 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0491   -1.5385    0.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3652   -0.1212    0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5210    0.5136    0.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1160    0.4397   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9778    1.4245   -0.9336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1109   -0.0011   -0.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5329    1.1178   -1.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7407    1.7270   -0.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2884   -1.6526   -0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8960   -2.1508    0.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0335    1.9830    0.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4478    2.5098   -0.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7370   -1.9425    1.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9597   -2.1151   -0.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292    1.5601    0.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3749    0.0117    0.8328 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