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
   -2.9631   -0.0661   -0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4982    0.0060   -0.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6266   -0.1327    0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7539   -0.0457    0.2330 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5861   -1.1235   -0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -2.3494   -0.2293 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713   -0.5264   -0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188    0.7939   -0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4950    1.1599    0.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1281    2.3430    0.3955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3044   -1.0501    0.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2307    0.7465    0.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5160    0.1792   -1.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2541   -0.8173   -1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2979    0.9688   -1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8091   -1.1339    1.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8181    0.6630    1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7274   -1.0872   -0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385    1.4719   -0.5561 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