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
    3.9828    0.8888   -1.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7091    0.9268   -0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9612   -0.3665   -0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6772   -0.2902    0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0784   -1.5743    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3459   -1.5419    0.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2195   -0.4409    0.4751 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2953    0.8710    1.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5789    1.3275    1.9165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3427    1.6282    0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8840    0.8158   -0.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2350   -0.4879   -0.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4751   -1.5064   -1.2413 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5873    0.0181   -0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    0.7759   -2.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6103    1.7952   -0.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9128    1.0054    0.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0925    1.7926   -0.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7012   -0.4300   -1.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5592   -1.2194   -0.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1411    0.5962   -0.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828   -0.1795    1.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2869   -1.7211   -1.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5472   -2.4053    0.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9449   -2.4865    0.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1466   -1.5029    1.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6645    2.6482    0.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6964    1.0630   -1.2469 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