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
    2.9329    0.3711   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4757    0.5771   -0.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7151   -0.4836    0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7124   -0.3585    0.1866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476   -0.9659   -0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1231   -1.7684   -1.6864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8987   -0.5011   -0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9262    0.3291    0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5642    0.4518    0.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2811    1.1785    1.9678 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2005    1.0361    0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1593   -0.6608    0.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5877    0.5545   -1.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1613    1.5979   -0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3057    0.4487   -1.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0972   -1.4670    0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0050   -0.3619    1.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7631   -0.7884   -1.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8239    0.8106    0.8546 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