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
   -2.9949    0.1757   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5801   -0.2365   -0.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6248    0.4544    0.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7464    0.1546    0.2281 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6549    0.8380   -0.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3932    1.8405   -1.3287 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9527    0.1859   -0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8646   -0.8447    0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5152   -0.9105    0.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1286   -1.7870    1.6162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7258   -0.2379   -0.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1619   -0.2419    0.9764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0605    1.3025   -0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4461    0.0082   -1.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5113   -1.3338   -0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8456    1.5513    0.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8671    0.0957    1.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8408    0.4790   -1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7218   -1.4935    0.4539 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