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
    3.3356   -0.2100    1.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181   -0.6524    0.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1015   -1.1571    1.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051   -0.3791    0.5382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5712    0.7798    1.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2079    1.2945    2.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6537    1.2763    0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7163    0.4632   -0.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7153   -0.5830   -0.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4702   -1.5366   -1.4652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6673    0.5883   -1.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2997    0.1609    1.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1459   -0.2055    2.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6532   -0.6372   -0.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0499   -1.0614    2.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0193   -2.2103    0.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2669    2.1548    0.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1975   -0.3651   -2.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340    0.9079   -2.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4280    1.3721   -1.7329 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