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
   -3.2914    0.0048   -0.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9784   -0.0115   -0.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0591   -0.0267    0.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3380   -0.0440    0.2793 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720   -1.1757    0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7821   -2.3876    0.1406 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5194   -0.7397   -0.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5023    0.5863   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1940    1.0901    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7991    2.2768    0.1651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4037    0.7626    0.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9088   -0.9532   -1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8122    0.8963   -1.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2339    0.8565    1.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3060   -0.9439    1.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3415   -1.4167   -0.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3451    1.2257   -0.5523 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