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
   -2.9580   -0.0616    0.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4807   -0.0614    0.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015   -0.0276   -0.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7118   -0.0304   -0.4156 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4926    1.1490   -0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0985    2.3483   -0.2709 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8470    0.7580    0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178   -0.5659    0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020   -1.1135   -0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2928   -2.3173   -0.3441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4361    0.5964    1.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    0.3330   -0.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4156   -1.0738    0.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1741    0.7991    1.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2086   -0.9737    1.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9093   -0.9499   -1.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9065    0.8490   -1.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6744    1.4402    0.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8412   -1.0978    0.2497 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