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
   -4.4830    0.9366   -0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5904   -0.1891   -0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1665    0.2560   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -0.7640    0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2204   -0.1505    0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3056   -1.1136    0.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5739   -0.4409    0.2378 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2790    0.3889    1.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8909    0.6511    2.3514 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4996    0.8658    0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5469    0.3743   -0.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713   -0.4507   -0.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0709   -1.0815   -1.9851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5494    0.8563   -1.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4834    0.8892   -0.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9544    1.8830   -0.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8731   -0.3643    1.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8169   -1.0961   -0.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9923    0.4627   -1.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0191    1.1676    0.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1812   -1.6837   -0.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2729   -0.9962    1.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3898    0.0735   -1.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3469    0.7865    0.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2267   -1.2684    1.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2885   -2.0492   -0.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2139    1.5104    1.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3260    0.5464   -1.4007 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