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
   -2.0154   -0.5251    0.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8402    0.5839   -0.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7038    0.2447   -1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    0.0849   -0.6531 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5089    1.1244   -0.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4213    2.3371   -0.7032 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6303    0.5523    0.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3925   -0.7321    0.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1192   -1.0853   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5831   -2.2299   -0.1017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1507   -0.5764    1.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0575   -1.4707    0.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9385   -0.3568    1.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7710    0.5736   -1.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7566    1.5745    0.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6273    0.9954   -2.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9465   -0.7247   -1.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5311    1.0527    0.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0710   -1.4224    1.0516 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