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
   -4.1090   -0.5382    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5684    0.7632    0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1188    0.6584    0.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2463    0.2218   -0.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1798    0.1592    0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1565   -0.2639   -0.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4698   -0.2971   -0.1565 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3902    0.8046   -0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1676    1.9488   -0.5730 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908    0.3430    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4241   -0.9360    0.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1052   -1.3823    0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5856   -2.5202    0.6248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8669   -0.6249   -1.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2284   -0.4985    0.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7597   -1.4116    0.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1196    1.1808    1.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6124    1.4959   -0.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9492   -0.0402    1.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7157    1.6440    1.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912   -0.7728   -0.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276    0.9958   -1.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4092    1.1872    0.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1303   -0.5769    1.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1515    0.3926   -1.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8751   -1.2996   -1.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708    0.9307    0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068   -1.5638    1.4647 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