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
    3.2228    0.0052    1.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5703    0.2936    0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6958   -0.7141   -0.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200   -0.2597   -0.5737 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3107    0.4796   -1.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2761    0.8620   -2.6607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7259    0.7044   -1.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9459    0.1444   -0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7022   -0.4733    0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5343   -1.0971    1.4783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2287    0.1256    0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8562    0.7416    1.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1219   -0.9974    1.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6856    1.2853   -0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0943   -0.9804   -1.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7411   -1.6644    0.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4240    1.2437   -1.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6790   -0.8992    0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9472    0.8398    0.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862    0.3605    1.7476 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