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
   -1.9995   -0.9180    0.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7963    0.1380   -0.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7867    1.1765   -0.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5110    0.5589   -0.0061 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700    0.3773   -0.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5754    0.7066   -2.1663 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828   -0.2761   -0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3619   -0.4908    0.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0088    0.0214    1.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3924   -0.0243    2.2981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -0.5390    1.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7398   -1.6501   -0.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0622   -1.4854    0.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7498    0.6396   -0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4326   -0.3368   -1.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1319    1.7542    0.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6169    1.8780   -1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455   -0.5635   -0.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0127   -0.9666    1.7361 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