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
   -2.0295    0.1067    0.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7947    0.6012   -0.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7342   -0.2086   -1.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358   -0.1746   -0.7540 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9913   -1.0724    0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3883   -2.0516    0.7650 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3373   -0.6876    0.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7115    0.3703   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6278    0.7323   -0.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6233    1.6847   -1.7563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588    0.2369    1.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3688   -0.9435    0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8104    0.7750    1.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7460    0.4572   -1.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5558    1.6713   -0.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880    0.0475   -2.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909   -1.2766   -1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918   -1.1585    1.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6700    0.8905    0.0118 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