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
    1.8086    1.2847    0.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9332   -0.1765    0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8098   -1.0057    0.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4886   -0.6142    0.3927 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2490   -1.0175   -0.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8712   -1.8672   -1.5903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5112   -0.2947   -0.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5263    0.4940    0.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2839    0.3428    1.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0383    0.9831    2.1257 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7297    1.8100    0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6612    1.3803    1.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9229    1.7443    0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0591   -0.2730   -0.7646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713   -0.5499    0.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8461   -0.9734    1.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9911   -2.0552    0.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3128   -0.3793   -1.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3516    1.1673    0.6012 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