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
    2.9675   -0.2854    0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5272   -0.3496   -0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6603    0.2370    0.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7461    0.2224    0.3380 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6389   -0.8620    0.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3642   -1.9436    1.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9225   -0.4667    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8643    0.7308   -0.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4974    1.1947   -0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0271    2.2945   -0.7323 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5468    0.2474   -0.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3726   -1.2783    0.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0547    0.3436    1.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826    0.2432   -1.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873   -1.4147   -0.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7993   -0.3841    1.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9758    1.2650    0.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8236   -1.0648    0.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6900    1.2708   -0.9957 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