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
    2.0061   -0.8550   -0.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8718    0.5180    0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6800    0.5980    0.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5768    0.3458    0.3835 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4930    1.2267   -0.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3291    2.4488   -0.3651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6191    0.4346   -0.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414   -0.8398   -0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1600   -0.9571    0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6938   -2.0505    0.7271 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1283   -1.1141   -1.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651   -1.5875    0.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9383   -0.8474   -1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7737    0.6806    0.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.2537   -0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8221   -0.1113    1.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6211    1.6113    1.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4704    0.8912   -1.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1463   -1.6459   -0.6238 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