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
    4.6030   -0.0468    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1038   -0.0520    0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3713   -1.2026   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9929   -1.1348   -0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2918    0.0463   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0742    1.1945    0.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4561    1.1469    0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1234    0.1242   -0.0107 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8903    1.3107    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5506    2.5080   -0.2165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2657    0.9486    0.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4004   -0.4210   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4928   -1.0424   -0.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0268   -0.9685   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8268   -2.1866   -0.1404 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0161   -0.0821   -0.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0056    0.7994    0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9246   -0.9921    0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8925   -2.1420   -0.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4359   -2.0417   -0.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6305    2.1670    0.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0402    2.0404    0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9872    1.6189   -0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3434    0.9811    1.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4932   -2.0443   -0.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4380   -0.5293   -0.3832 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