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
    3.2935    0.0493    0.3639 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9493   -0.0746    0.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0973    0.2838   -0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3171    0.1501   -0.2903 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2258    1.1212    0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8789    2.3082    0.5116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5616    0.5360    0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4799   -0.7268   -0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1100   -1.0269   -0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6536   -2.1267   -0.9193 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4676   -0.4163   -0.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6863    0.4971    1.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7051   -1.1486    0.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4016   -0.3410   -1.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655    1.3327   -0.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4520    1.0473    0.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2873   -1.4647   -0.0984 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