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
   -2.0470    0.7740   -0.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7102   -0.6477   -0.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6957   -1.1966    0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5296   -0.4240    0.3341 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6388   -0.7081   -0.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6992   -1.6726   -1.3322 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6556    0.3113   -0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2388    1.1600    0.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9120    0.7335    1.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1779    1.2832    1.9188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8027    1.1079   -1.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4825    0.8993    0.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1476    1.4121   -0.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1903   -0.6714   -1.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5816   -1.2975   -0.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5307   -2.2499    0.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0872   -1.1817    1.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    0.3459   -0.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8007    2.0226    1.0626 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