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
   -1.9439   -0.9794   -0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8445    0.5373   -0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7609    0.8728    0.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5393    0.4087    0.3962 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4955    1.1110   -0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3813    2.2755   -0.8568 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6578    0.2560   -0.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4013   -0.8737    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1108   -0.8595    0.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6232   -1.8211    1.3481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8972   -1.2316   -0.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1056   -1.3697   -0.9426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0091   -1.4050    0.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6732    1.0535   -1.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8117    0.8618    0.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0157    0.4007    1.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7859    1.9648    1.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    0.5135   -1.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0844   -1.7157    0.0703 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