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
   -2.0752    0.7708    0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7169   -0.5465    0.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6058   -1.2412   -0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5986   -0.4510   -0.1587 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -0.4976    0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -1.2389    1.8354 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6506    0.4699    0.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2356    1.0396   -0.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9351    0.5025   -1.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2620    0.8388   -2.1884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993    1.5150    0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0402    1.1254    0.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2376    0.5854   -1.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4321   -0.4447    1.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6076   -1.2069    0.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9825   -1.5175   -1.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3823   -2.1790    0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5858    0.6713    0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7610    1.8046   -1.3608 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