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
   -3.5148    0.6552   -0.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4870    0.4629    0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6963   -0.7808    0.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2947   -0.4869   -0.0791 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3079   -0.3908   -1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2878   -0.5484   -2.4601 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7337   -0.0777   -1.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0110    0.0162    0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569   -0.2354    0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6282   -0.2301    2.0971 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3176    0.3157    0.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8293   -0.0892   -1.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0704    1.5966   -0.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2031    1.2012    1.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7610   -1.3046    1.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0694   -1.4036   -0.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759    0.0619   -1.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596    0.9591    0.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1741    0.8903    1.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8490   -0.6115    1.0664 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