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
   -1.7809    1.2562   -0.9155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1357    0.2141   -0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1314   -0.9047   -0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2263   -0.4623   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1618    0.1518   -0.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9073    0.3930   -2.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3933    0.4227   -0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2663    0.0244    1.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9218   -0.5397    1.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.0316    2.2584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586    2.1123   -0.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1183   -0.1796   -0.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1596    0.5131    0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3934   -1.8238    0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1643   -1.0939   -1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2794    0.8807   -0.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9736    0.0672    1.8635 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