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
   -2.9707   -0.2223    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5578   -0.0999   -0.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6256   -0.0502    0.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7522    0.0670    0.3033 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4945    1.2529    0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0868    2.4378    0.2004 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8600    0.8915   -0.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9553   -0.4306   -0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6465   -1.0008    0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4439   -2.2428    0.1112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0169    0.1220    1.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3629   -1.2437   -0.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6884    0.4258   -0.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201    0.7817   -1.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3260   -1.0055   -1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9551    0.7340    1.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8104   -1.0263    1.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304    1.5914   -0.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8643   -0.9819   -0.5876 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