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
   -4.0286    0.9556   -0.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6047    0.4770   -0.9926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0532   -0.0936    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6233   -0.5304   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0367   -1.1198    1.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4335   -1.5356    0.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2758   -0.4863    0.4052 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1391    0.3942    1.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2913    0.3647    2.3550 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7661    1.2778    0.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3433    0.9889   -1.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3993   -0.1164   -0.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8301   -0.6074   -1.9844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7402    0.1199   -0.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0432    1.6888   -0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2897    1.4928   -1.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4782   -0.2412   -1.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0086    1.3846   -1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0638    0.6400    1.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6953   -0.9427    0.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -1.2652   -0.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1015    0.3988   -0.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4980   -2.0296    1.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0264   -0.3788    2.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576   -2.3053    0.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9232   -2.0825    1.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4756    2.0484    0.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6590    1.5032   -1.9810 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