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
   -1.9934    1.1825   -0.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8986   -0.1701   -0.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0858   -0.8637    0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2473   -0.2993    0.4119 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3647   -0.7678   -0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3711   -1.6993   -1.1543 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4936    0.0588    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1307    0.9462    0.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7112    0.7635    1.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0288    1.4138    2.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5786    1.3255    0.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4488   -0.2271   -1.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9124   -0.6098   -0.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6328   -0.7959    1.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9746   -1.9366    0.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4983   -0.0388   -0.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7369    1.7181    1.4501 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