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
   -2.9348   -0.1821    0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5071    0.1751    0.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6260   -0.5186   -0.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7378   -0.1720   -0.1724 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4087    0.9707   -0.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9710    1.8432   -1.4887 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522    0.9502   -0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8808   -0.1052    0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6452   -0.8686    0.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3553   -1.9265    1.3156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5276   -0.1726    1.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    0.6044   -0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9962   -1.1858   -0.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1837   -0.2100    1.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3108    1.2607    0.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7804   -1.6246   -0.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8325   -0.1743   -1.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5099    1.7154   -0.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7713   -0.3792    1.2375 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