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
   -2.9982   -0.1069    0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5748    0.0008   -0.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -0.0747    0.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7423    0.0119    0.2804 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6279   -1.0809   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465   -2.2977   -0.0718 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9587   -0.5614   -0.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8993    0.7580   -0.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5592    1.1614    0.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1831    2.3303    0.3638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0450    0.3356    1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3220   -1.1618    0.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7117    0.4687   -0.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261    0.9584   -1.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4226   -0.8189   -1.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724    0.8089    1.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8992   -0.9883    1.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369   -1.1316   -0.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7629    1.3882   -0.3818 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