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
    2.9498    0.2373   -0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5493    0.1783    0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6054   -0.0358   -0.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752   -0.1108   -0.2403 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6503    1.0069   -0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3473    2.2010   -0.3894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9195    0.4681    0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8378   -0.8382    0.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4999   -1.2986    0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0199   -2.4682    0.1568 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432   -0.0458    0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0169   -0.5067   -0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1848    1.2301   -0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5261   -0.6696    1.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3596    1.1466    0.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9281   -0.8974   -1.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7332    0.8636   -1.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8221    1.0403    0.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6244   -1.5012    0.7947 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