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
   -3.3808    0.7150    0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5709   -0.3150    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6738   -0.2980   -0.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2669   -0.3763   -0.4096 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4885   -1.5709   -0.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0926   -2.7408   -0.3953 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8561   -1.1828    0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9530    0.1343    0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6434    0.6783   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3318    1.8975   -0.1633 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1928    0.9067    0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3878    1.5623   -0.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0680    0.7456    1.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6193   -1.1316    1.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9156   -1.1531   -1.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8779    0.6113   -1.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675   -1.8612    0.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227    1.8856    0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0906    0.3474    0.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2222    1.1456    1.6546 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