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
    4.4933    0.9740    0.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5433   -0.1778    0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1619    0.2892    0.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106   -0.7804    0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.1362    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3589   -1.1314    0.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5815   -0.4513    0.0584 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1728   -0.3982   -1.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6650   -0.9659   -2.2538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3967    0.3897   -1.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5581    0.7956    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4590    0.3063    0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2741    0.4893    2.1054 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2239    1.7795    1.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3079    1.3062   -0.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5405    0.6266    0.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8267   -0.9883    0.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6358   -0.5172    1.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8898    1.1338    1.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1506    0.6903   -0.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2832   -1.6787    0.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0243   -1.0575    1.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.2358   -0.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4299    0.6997    0.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3630   -1.4174    1.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1347   -1.9898   -0.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0225    0.5756   -2.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3535    1.3986    0.4483 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