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
   -3.6800    0.1522    0.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6903   -0.9128    0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6776   -0.4808   -0.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9300    0.6965   -0.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1202    1.2627   -1.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2824    0.4342   -1.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1446    0.0008   -0.4465 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0781   -1.1862    0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2450   -2.1351    0.2129 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1758   -1.1864    1.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8945   -0.0851    1.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963    0.6962    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    1.8109   -0.3338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4354    0.5199    1.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6763    1.0216   -0.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208   -0.2728    0.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1865   -1.3409    1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2634   -1.7607   -0.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9993   -1.3259   -0.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2340   -0.2620   -1.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5641    0.4544    0.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6975    1.5148   -0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3947    1.5535   -2.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3893    2.2680   -0.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8429    0.9106   -2.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8736   -0.5071   -1.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3496   -1.9968    1.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7810    0.1562    1.7557 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