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
   -2.3516    1.0830   -0.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7110    0.0799    0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7259   -0.9528    0.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4232   -0.6880    0.3675 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1121   -1.1505   -0.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5412   -1.8935   -1.6463 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4683   -0.6263   -1.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7486    0.1088    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6153    0.1151    0.9373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5439    0.7162    2.0461 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418    0.8339    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0884    1.7987   -0.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3599    1.1887   -0.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7225    0.0018    0.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1143   -1.9572    0.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6644   -0.8719    2.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0913   -0.8315   -1.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8208    0.4609   -0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3300    0.6707    1.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9305    1.9140    0.1086 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