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
   -2.9639    0.2457   -0.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4812    0.5368   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6971   -0.7098    0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7106   -0.3810    0.1424 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5110    0.1705    1.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0440    0.4361    2.3466 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8751    0.3449    0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9516   -0.0549   -0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6118   -0.5235   -0.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3048   -0.9735   -2.0700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1005   -0.8033   -0.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3135    0.4093    0.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5441    0.9141   -0.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2200    0.8096   -1.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505    1.3893    0.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0033   -0.9759    1.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9556   -1.5154   -0.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6948    0.7357    1.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8262   -0.0547   -1.1689 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