Monomers

1H-Pyrrole-2,5-dione, 3-methyl-1-(2-propenyl)-

Identifiers

IUPAC name
3-methyl-1-prop-2-enylpyrrole-2,5-dione
InchI
InChI=1S/C8H9NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h3,5H,1,4H2,2H3
InchI Key
FGERGCLLTZOZLN-UHFFFAOYSA-N
SMILES
C=CCN1C(=O)C=C(C1=O)C
Canonical SMILES
CC1=CC(=O)N(C1=O)CC=C
Isomeric SMILES
CC1=CC(=O)N(C1=O)CC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H9NO2
Heavy Atom Count
11
Molecular Weight
151.165
Exact Molecular Weight
151.0633
Valence Electrons
58
Radical Electrons
0
tPSA
37.38
MolLogP
0.4875
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -2.2513    0.3553    0.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6835    0.4493   -0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7777    0.1590   -1.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4805   -0.2032   -0.8474 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0059   -1.4957   -0.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6660   -2.5681   -0.6043 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3605   -1.3119   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7224   -0.0601   -0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5833    0.7059   -0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6152    1.9586   -0.7286 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375    0.5026    0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2192    0.0618    1.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8840    0.5602    1.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7014    0.7393   -0.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6359    1.0468   -2.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1320   -0.7157   -1.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9743   -2.1567    0.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0393    1.6050    0.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    0.2735    1.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680    0.0941   -0.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
  9  4  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  7 17  1  0
 11 18  1  0
 11 19  1  0
 11 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers