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
   -2.6467    0.7828    0.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7152   -0.4508    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5816   -1.3277   -0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2974   -0.7306    0.0424 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4637   -0.7631    1.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522   -1.3088    2.3536 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7113   -0.0463    1.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7253    0.3960   -0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980    0.0091   -0.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1694    0.2582   -2.0976 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8336    1.1876   -0.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5139    1.3881    0.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6819    1.2528    0.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7162   -0.8873    0.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6563   -2.2190    0.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7062   -1.7660   -1.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    0.1350    1.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7619    1.1453   -1.9393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8110    0.7163   -0.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8518    2.2284   -0.4639 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