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
   -1.8133    0.8647    0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9148   -0.3598    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8706   -0.3058   -1.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4782   -0.2597   -0.5322 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3368   -1.3586   -0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0302   -2.5789   -0.3746 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5796   -0.7935    0.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5382    0.5211    0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280    0.9035   -0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8035    2.0908   -0.3383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.8791    1.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7047    0.8150    1.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8673    1.7591    0.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8219   -1.2655    0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9046   -0.3064   -0.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0215    0.6435   -1.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9587   -1.1227   -1.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517   -1.3589    0.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020    1.2329    0.6372 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