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
   -2.9737   -0.2740    0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5866   -0.1033   -0.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6035   -0.1061    0.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7651    0.0485    0.3628 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6821   -0.9820    0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4136   -2.2290    0.0392 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9388   -0.3575   -0.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8630    0.9581   -0.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5088    1.2472    0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0548    2.4096    0.3852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9530    0.2314    1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7193    0.2658   -0.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2431   -1.3474    0.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6123    0.8380   -0.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4600   -0.9792   -1.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6847   -1.0936    1.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9010    0.6484    1.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8488   -0.8598   -0.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6622    1.6848   -0.4990 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