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
   -1.8815    0.9284   -0.8165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8953   -0.1821    0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7502   -1.1448    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5330   -0.5384    0.1713 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859   -0.3772    1.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9624   -0.7408    2.5434 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5342    0.2983    1.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5377    0.5271   -0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3057    0.0265   -0.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0054    0.0931   -2.1214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1360    0.5440   -1.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9490    1.5186   -0.8091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6988    1.6297   -0.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9384    0.2288    1.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8344   -0.7690    0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8766   -1.9244    0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342   -1.6788   -0.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3047    0.5498    1.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3254    1.0113   -0.8529 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