Monomers

1-Propyl-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-propylpyrrole-2,5-dione
InchI
InChI=1S/C7H9NO2/c1-2-5-8-6(9)3-4-7(8)10/h3-4H,2,5H2,1H3
InchI Key
DABFKTHTXOELJF-UHFFFAOYSA-N
SMILES
CCCN1C(=O)C=CC1=O
Canonical SMILES
CCCN1C(=O)C=CC1=O
Isomeric SMILES
CCCN1C(=O)C=CC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
37.38
MolLogP
0.3214
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

 19 19  0  0  0  0  0  0  0  0999 V2000
   -2.9647   -0.2461   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5366    0.2071   -0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5598   -0.7961    0.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7702   -0.2318    0.2098 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4850    0.5878    1.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0766    0.9790    2.2731 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7757    0.9291    0.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604    0.3535   -0.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6429   -0.3879   -0.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3533   -1.0543   -1.9394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0867   -1.3347   -0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5398    0.1585   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3877    0.1907    0.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3071    0.2844   -1.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4196    1.1708    0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794   -1.0796    1.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6733   -1.7229   -0.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5498    1.5468    1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7407    0.4457   -1.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  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
  9  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  7 18  1  0
  8 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers