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
   -2.2341    0.9170    0.3881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0378   -0.4286    0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9602   -0.7229   -0.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3284   -0.1918   -0.4303 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3006   -0.8775    0.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411   -2.0336    0.8146 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4462    0.0016    0.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2126    1.1635   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8902    1.0834   -0.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3338    1.9897   -1.3759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8409    1.2961   -0.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8149   -0.9875    1.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9835   -0.8451   -0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2624   -0.3335   -1.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8434   -1.8233   -0.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3506   -0.2354    1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8737    2.0279   -0.1558 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