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
   -3.2933   -0.0637   -0.2423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9582   -0.2545   -0.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0970    0.1062    0.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128   -0.0238    0.3049 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1113    1.0395   -0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7166    2.2112   -0.5253 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4800    0.5523   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5347   -0.7002    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923   -1.1007    0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8579   -2.2229    0.9517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3070    0.8116    0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8779   -1.2785   -0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8059    0.4250   -1.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3567   -0.5111    1.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3099    1.1531    0.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3429    1.1401   -0.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4574   -1.2836    0.1644 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