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
   -3.2864    0.2846   -0.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9861    0.0495   -0.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0118    0.3222    0.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3554    0.0910    0.2735 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376    1.0431   -0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9465    2.2487   -0.5420 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    0.4103   -0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4051   -0.8439   -0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0864   -1.1307    0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6342   -2.2155    0.8298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5536   -0.4499    0.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8266   -0.9457   -0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8018    0.8059   -1.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2514   -0.3420    1.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0676    1.3591    1.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3994    0.8991   -1.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2006   -1.5859   -0.2374 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