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
   -4.1221    0.8646   -0.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4192   -0.2138    0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9774   -0.3791   -0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1749    0.8581    0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2554    0.7107   -0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9567   -0.3585    0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3633   -0.4825    0.0390 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8553   -1.3269   -0.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1688   -2.1187   -1.7228 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2957   -1.1154   -1.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665   -0.2243   -0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4804    0.2108    0.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4495    1.0647    1.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2139    0.7819   -0.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0494    0.7424   -1.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8167    1.8897   -0.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9629   -1.1524    0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4499    0.0898    1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9350   -0.7064   -1.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5494   -1.2334    0.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6744    1.6968   -0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2386    1.1518    1.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    1.7112   -0.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2574    0.4482   -1.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9581   -0.0866    1.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4328   -1.3298    0.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9994   -1.6060   -1.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7032    0.1130    0.0097 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