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
   -1.5576   -0.4378    1.8230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0397   -0.2294    0.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2087    0.8086   -0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1683    0.3875   -0.3232 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7453   -0.3783   -1.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0967   -0.8082   -2.3853 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1609   -0.5653   -1.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4683    0.0288    0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2524    0.6467    0.5896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1321    1.2998    1.6464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -1.3978    2.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0851    0.1259    0.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0973   -1.1870   -0.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2804    1.7404    0.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6890    1.0433   -1.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8514   -1.1204   -1.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4657    0.0432    0.5293 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