Monomers

1-Hexylpyrrole-2,5-dione

Identifiers

IUPAC name
1-hexylpyrrole-2,5-dione
InchI
InChI=1S/C10H15NO2/c1-2-3-4-5-8-11-9(12)6-7-10(11)13/h6-7H,2-5,8H2,1H3
InchI Key
FBPVUBVZRPURIU-UHFFFAOYSA-N
SMILES
CCCCCCN1C(=O)C=CC1=O
Canonical SMILES
CCCCCCN1C(=O)C=CC1=O
Isomeric SMILES
CCCCCCN1C(=O)C=CC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H15NO2
Heavy Atom Count
13
Molecular Weight
181.235
Exact Molecular Weight
181.1103
Valence Electrons
72
Radical Electrons
0
tPSA
37.38
MolLogP
1.4917
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

 28 28  0  0  0  0  0  0  0  0999 V2000
   -3.7490    0.7688    0.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7422   -0.1726    0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5619    0.5949   -0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6227   -0.4017   -1.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1159   -1.3599   -0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6912   -0.7542    1.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082   -0.1179    0.5858 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1658   -0.8060    0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3911   -2.0140    0.7075 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1545    0.1565    0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255    1.3339   -0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1898    1.2056    0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3468    2.1649    0.1698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0652    1.5781    0.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3592    1.1670    1.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6514    0.1545    0.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3438   -0.7847    0.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1894   -0.7954   -0.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0856    1.0968    0.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9073    1.3333   -1.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -0.9404   -1.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1980    0.1088   -1.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8911   -2.0038    0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5265   -2.1148   -0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9104   -1.6123    1.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0912   -0.0471    1.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277   -0.0158   -0.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0512    2.2777   -0.4554 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  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12  7  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
 10 27  1  0
 11 28  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers