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
   -2.0504    0.1575    0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.9182   -0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6177   -0.3936   -1.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5550    0.0227   -0.5222 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6702   -0.7966   -0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512   -2.0053   -0.5272 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6143    0.0198    0.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1599    1.2514    0.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8668    1.2925    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1055    2.2914   -0.0506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -0.2703    1.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3551    1.0962    0.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2329    0.3688    1.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2143   -1.7532    0.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5574   -1.2916   -0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9909    0.4550   -1.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3647   -1.2424   -1.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5526   -0.3727    0.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6537    2.0887    1.2225 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