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
   -2.9275   -0.1576   -0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4820    0.2691   -0.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6289   -0.5614    0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7423   -0.1664    0.2964 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6321   -0.7583   -0.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3801   -1.7078   -1.4257 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9219   -0.0514   -0.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8022    0.8788    0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4504    0.8644    0.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9526    1.5858    1.8571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1266   -1.0881   -0.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6477    0.6187   -0.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1095   -0.3882    0.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1909    0.0876   -1.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590    1.3576   -0.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8137   -1.6232    0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9249   -0.4060    1.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7658   -0.3066   -1.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5633    1.5531    0.7176 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