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
   -2.0608    0.1185   -0.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8372   -0.0544    0.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6114   -0.8444    0.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6036   -0.2688    0.4238 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4887    0.6581    1.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3443    1.1685    2.2009 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5733    0.9058    0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4065    0.2104   -1.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1801   -0.5399   -0.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7320   -1.3175   -1.7450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9067    0.8569   -1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1947    0.6127   -1.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3908   -0.7986   -1.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7879    0.9330    1.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7123   -0.6109    0.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5411   -0.8872    2.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7489   -1.9081    0.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4058    1.5762    0.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0577    0.1897   -1.9019 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