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
    2.9408   -0.0511   -0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4543   -0.1264   -0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7258    0.2335    0.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7041    0.1374    0.5542 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4650   -1.0427    0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0402   -2.1574    1.1637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8471   -0.7210    0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9271    0.5441    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6012    1.1469    0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2823    2.3160   -0.1794 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3769   -0.8776   -0.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3747    0.9044   -0.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3019   -0.2176    0.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233   -1.1515   -0.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1266    0.6194   -1.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724   -0.4441    1.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0265    1.2542    1.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7087   -1.3997    0.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8474    1.0333   -0.2496 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