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
   -3.0971    0.1312    1.1475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7464    0.4472    0.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1496   -0.4149   -0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2313   -0.1999   -0.3212 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855   -0.8842    0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1475   -1.7605    1.2542 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5699   -0.3966   -0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303    0.5087   -1.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8972    0.6718   -1.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3067    1.4375   -2.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3684    0.0201    2.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2880    0.3853    1.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7197    1.5219    0.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7802   -0.2719   -0.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2870   -1.4857    0.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5535   -0.7384    0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145    1.0284   -1.6692 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