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
    4.4852   -1.0598    0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0495   -0.6740    0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2220   -1.3771   -0.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793   -1.0422   -0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3227    0.0034    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1649    0.6893    0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4984    0.3634    1.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0561    0.3416   -0.1032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931    1.4681   -0.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9471    2.1400   -1.6300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9944    1.7212   -0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4249    0.3476    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6489   -0.0966   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2014   -0.3732    0.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1629   -1.4354    1.0660 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1558   -0.2815    0.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6711   -1.2950    1.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6560   -1.9936   -0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6234   -2.1985   -1.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2447   -1.5924   -1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7319    1.5076    1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1650    0.9110    1.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5560    2.1712   -1.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9455    2.3203    0.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8969   -1.1255    0.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4426    0.5600   -0.3444 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