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
    2.9812    0.0562    0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5116    0.1696    0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241   -0.2158   -0.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.0784   -0.2463 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5193   -1.0997    0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1401   -2.2772    0.6124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8537   -0.5664    0.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8784    0.6839    0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5937    1.0611   -0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103    2.1579   -0.8288 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4237   -0.9052    0.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4984    0.8532    0.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1506    0.2141   -0.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2236    1.1949    0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3149   -0.5895    1.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7941    0.4064   -1.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7921   -1.2782   -0.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6555   -1.1400    1.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7173    1.3531    0.2794 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