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
   -3.2670    0.0836    0.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9214    0.1594    0.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0533   -0.1001   -0.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3522   -0.0205   -0.3658 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1819   -1.1071    0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7780   -2.2866    0.2346 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5119   -0.5547    0.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4970    0.7379    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    1.1475   -0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7749    2.3015   -0.7596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6890   -0.7268    0.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7351   -0.5599    1.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7303    1.2033    0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3302    0.6404   -1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2596   -1.1402   -1.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1590    0.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3698    1.3814    0.1083 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