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
   -4.1132    0.5046    0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6244   -0.4191   -0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2027   -0.8805   -0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2445    0.2876   -0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1581   -0.2141   -0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552    0.9282   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782    0.3830    0.2090 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4279   -0.0280   -0.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2039    0.0442   -2.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6132   -0.5085   -0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4715   -0.4279    1.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1360    0.1306    1.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6509    0.3508    2.5715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1752    0.7380    0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5415    1.4468    0.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0981    0.0383    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6175    0.1680   -1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3194   -1.2571   -0.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1029   -1.4830    0.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9105   -1.5111   -1.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5494    1.0078    0.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2363    0.8006   -1.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2058   -0.7480    0.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4309   -0.8839   -0.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8889    1.6705    0.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2047    1.4704   -1.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4862   -0.8799   -0.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2243   -0.7283    1.9234 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