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
   -1.7101    1.6408   -0.2024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0189    0.4452    0.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1972   -0.6457   -0.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2184   -0.4363   -0.0517 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1081   -0.8345    0.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7677   -1.4747    2.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4593   -0.3684    0.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4006    0.2657   -0.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0201    0.2565   -1.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5905    0.7776   -2.0959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3158    1.7799   -0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0851    0.2249    0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8229    0.5497    1.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5249   -1.6148    0.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614   -0.7059   -1.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3047   -0.5617    1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2670    0.7015   -1.0235 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