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
    2.0028   -0.5839   -0.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129    0.5832    0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6912    0.3385    1.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5641    0.1300    0.5109 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0953   -1.1075    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5459   -2.2661    0.2023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3766   -0.8410   -0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6115    0.4513   -0.5005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5056    1.1278    0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4645    2.3677    0.3444 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1136   -0.7299   -1.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469   -0.2860   -1.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3498   -1.4996   -0.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660    0.7574    0.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6410    1.4845   -0.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5780    1.2413    1.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8939   -0.5037    1.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0324   -1.5872   -0.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5002    0.9232   -0.8954 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