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
   -2.2182    0.4581   -0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828   -0.9447   -0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4656   -0.9603    0.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6319   -0.2083    0.1837 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566    1.1562    0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3017    1.9494    1.0757 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1674    1.4370   -0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5762    0.3237   -0.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6527   -0.7420   -0.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -1.9182   -1.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5475    0.9192   -1.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2280    0.4523   -0.8178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2363    1.0510    0.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4550   -1.4562   -1.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4882   -1.5107    0.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7141   -0.6702    1.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1420   -2.0270    0.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6809    2.3961   -0.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4655    0.2947   -1.6161 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