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
   -3.2613   -0.3557   -0.2484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9684    0.0739   -0.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0124   -0.5710    0.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3460   -0.1858    0.2214 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3053   -0.8479   -0.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1165   -1.8828   -1.3174 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5494   -0.0960   -0.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3602    0.9240    0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9963    0.9281    0.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5179    1.7894    1.6096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5118   -0.0838    0.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8501    1.1732   -0.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7256   -0.2626   -1.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1406   -1.6772    0.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3074   -0.2151    1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4609   -0.3711   -1.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1252    1.6604    0.5323 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