Monomers

1-(2-Hydroxyethyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2-hydroxyethyl)pyrrole-2,5-dione
InchI
InChI=1S/C6H7NO3/c8-4-3-7-5(9)1-2-6(7)10/h1-2,8H,3-4H2
InchI Key
AXTADRUCVAUCRS-UHFFFAOYSA-N
SMILES
OCCN1C(=O)C=CC1=O
Canonical SMILES
C1=CC(=O)N(C1=O)CCO
Isomeric SMILES
C1=CC(=O)N(C1=O)CCO
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7NO3
Heavy Atom Count
10
Molecular Weight
141.126
Exact Molecular Weight
141.0426
Valence Electrons
54
Radical Electrons
0
tPSA
57.61
MolLogP
-1.0963
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -1.9973    0.9030   -1.1030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1327    0.1497    0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0874   -0.9726    0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2496   -0.4532    0.0831 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0832   -0.1816   -1.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7244   -0.3776   -2.2507 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3475    0.3334   -0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3513    0.3964    0.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0470   -0.0897    1.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6447   -0.1902    2.4195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9451    1.8869   -0.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1287   -0.3237    0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9484    0.7625    0.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270   -1.5308   -0.8678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -1.6759    0.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1706    0.6231   -1.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1554    0.7404    1.4330 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  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9  4  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  7 16  1  0
  8 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers