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
   -4.0186   -0.3491    0.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3762   -0.0384   -0.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8925   -0.3413   -0.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2850    0.5316    0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1858    0.2454    0.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9198    0.5332   -0.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3157    0.2101   -0.3351 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3567    1.0417    0.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281    2.2415    0.4517 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5845    0.2619    0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2834   -0.9562   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8849   -1.0661   -0.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2824   -2.0850   -0.9963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1242   -0.3328    0.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6786   -1.3446    1.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8045    0.4171    1.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8064   -0.6845   -1.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5067    1.0069   -0.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075   -1.4097   -0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -0.0233   -1.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    0.2017    1.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4818    1.6037    0.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3743   -0.7947    1.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143    0.8854    1.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5532   -0.1459   -1.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7975    1.5850   -0.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5781    0.6012    0.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9741   -1.7946   -0.2993 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