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
   -2.9606   -0.0761    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5210    0.0675    0.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6362   -0.1874   -0.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7471   -0.0771   -0.2904 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6047   -1.1143    0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2746   -2.3303    0.3502 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8970   -0.4804    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8348    0.8043    0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4974    1.1319   -0.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0812    2.2615   -0.7047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6040   -0.2754    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0018   -0.8637   -0.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1765    0.8815   -0.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203    1.1146    0.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3186   -0.6453    1.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9624    0.5092   -1.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8572   -1.2501   -0.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7710   -1.0022    0.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    1.5319    0.1844 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