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
   -4.2798    0.4455   -0.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3790   -0.3739   -0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530    0.1869    0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1715   -0.7243    0.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2742   -0.3482    1.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9638   -0.3506   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3681   -0.0050   -0.1371 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8837    1.3161   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1856    2.3519   -0.3931 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3227    1.2442   -0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6694   -0.0105    0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4805   -0.8440    0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4151   -2.1038    0.1793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3265    0.1515   -0.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0459    0.2115   -1.9555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2034    1.5348   -0.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3147   -1.3966   -0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7597   -0.4172    1.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5045    0.1180   -1.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9137    1.2347    0.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6266   -0.7188    1.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1641   -1.7744    0.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7285   -1.1817    1.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3924    0.6097    1.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4726    0.4402   -0.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8255   -1.3398   -0.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701    2.1301   -0.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6901   -0.3863    0.2339 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