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
   -2.1686    0.6432   -0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7358   -0.8064   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5433   -1.0873    0.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6303   -0.3565    0.2594 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6604   -0.7141   -0.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7547   -1.7540   -1.3524 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6314    0.3556   -0.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2673    1.3304    0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0032    0.9115    0.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3301    1.5523    1.6258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4769    1.2644   -0.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1917    0.7823   -0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2396    0.9102    0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5602   -1.1693   -1.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5857   -1.4009    0.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3042   -2.1756    0.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8106   -0.9825    1.6954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5508    0.4358   -1.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7883    2.2607    0.3958 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