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
   -1.9835   -0.1462    1.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8664    0.0969   -0.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6965   -0.6040   -1.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5705   -0.1936   -0.4745 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2525   -0.7557    0.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8657   -1.7393    1.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4840   -0.0065    0.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    0.9400   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3736    0.8750   -0.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    1.6545   -1.9345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0997    0.1641    1.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3151   -1.1762    1.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8238    0.5182    1.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8023    1.1758   -0.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7814   -0.2730   -0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6810   -0.3513   -2.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7928   -1.7078   -0.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2564   -0.1542    1.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3588    1.6834   -0.2262 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