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
    1.9836   -0.9005   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7749    0.5701   -0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7035    1.1409    0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5487    0.4458    0.2891 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0214   -0.7360    0.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3987   -1.3541    1.8270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3155   -1.0348    0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6124   -0.1254   -0.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.8515   -0.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4446    1.8653   -1.4284 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2369   -1.1144    0.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860   -1.4511   -0.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8507   -1.2119   -0.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995    0.6940   -1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7312    1.0796   -0.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9610    1.0608    1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800    2.2117    0.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9265   -1.9022    0.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5063   -0.0894   -1.2022 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