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
   -2.1683    0.5829    0.9901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9820   -0.5710    0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0515   -0.4457   -0.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2692   -0.0413   -0.5825 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    1.2612   -0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2649    2.3707   -0.6975 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2401    1.1437   -0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5098   -0.1363   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3309   -0.9337   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2797   -2.2111   -0.2284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8801    1.1363    0.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9668   -0.9202   -0.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6746   -1.3755    0.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0146   -1.4458   -1.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4477    0.2398   -1.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9804    1.9322   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801   -0.5863    0.2428 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