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
    4.7326    0.3716   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285   -0.3518    0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.1941   -0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0361   -0.5349    0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2065    0.0784   -0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4009   -0.6376    0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6525   -0.1753   -0.1867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4688    0.8487    0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1611    1.4899    1.3903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6498    0.9736   -0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5729    0.0974   -1.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3347   -0.6592   -1.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9871   -1.5659   -2.1419 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6107    0.1601    0.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9744    0.0255   -1.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4962    1.4566   -0.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4613   -0.2828    1.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5841   -1.4408    0.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2746    0.1710   -1.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    1.2767    0.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -1.6140    0.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0338   -0.3703    1.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1829    1.1475   -0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1682   -0.0503   -1.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3733   -0.6032    1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3028   -1.7137    0.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4577    1.6931   -0.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3504    0.0155   -2.2245 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