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
    2.9164   -0.0649   -0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334    0.2091   -0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7332   -0.5352    0.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -0.1996    0.4566 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3568    0.8760    1.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7392    1.6832    1.8603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7751    0.8434    0.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9717   -0.1828   -0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6872   -0.8769   -0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457   -1.8977   -1.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1734   -1.1189   -0.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3514    0.4298    0.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3283    0.4620   -1.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9476   -0.0522   -1.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2811    1.2884   -0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1735   -0.3666    1.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8501   -1.6209    0.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4891    1.5578    1.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9465   -0.4340   -0.4607 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