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
   -2.9533    0.2404   -0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4795    0.4361   -0.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6961   -0.2270    0.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7190   -0.1413    0.4347 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4869   -1.1130   -0.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0594   -2.1434   -0.8343 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8717   -0.6904   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011    0.4299    0.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6619    0.8224    0.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655    1.8320    1.5471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5955    0.7138   -0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2113    0.6523    0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2183   -0.8371   -0.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2780    1.5016   -0.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3313   -0.0757   -1.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0433    0.2155    1.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9864   -1.2959    0.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6841   -1.2544   -0.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9436    0.9341    0.6364 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