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
   -3.2940   -0.0021    0.0445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9716   -0.1442   -0.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0305    0.1369    0.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415   -0.0043    0.4448 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720    1.0406   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897    2.2358   -0.2640 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5027    0.4949   -0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5198   -0.8049   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1770   -1.1553    0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7748   -2.2773    0.8954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4438    0.9823    0.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8524   -1.1854   -0.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7618    0.5261   -1.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3429   -0.5644    1.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2840    1.1524    1.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3489    1.0635   -0.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547   -1.4947   -0.0853 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