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
   -1.9599   -0.2314    0.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305    0.4446   -0.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7127   -0.1644   -1.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655   -0.0437   -0.5159 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4755    1.0219   -0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4054    2.0767   -1.3422 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6092    0.6945    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3961   -0.4781    0.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0895   -1.0076    0.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5866   -2.1005    0.7682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9097    0.0619    1.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0730   -1.3320    0.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0805   -0.0810    1.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7246    1.5357   -0.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7804    0.2063   -0.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9698   -1.2219   -1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6415    0.3769   -2.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5195    1.2518    0.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0352   -1.0096    1.5072 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