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
   -3.1772    0.7018    0.3201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8683    0.6902   -0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0949   -0.3707    0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2845   -0.3763    0.2098 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3775    0.4039    0.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2425    1.2207    1.6794 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5661    0.0753   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2854   -0.8355   -0.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8651   -1.1435   -0.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2123   -1.9667   -1.5476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4887    1.6301    0.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4045    1.6804    0.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7782    0.4757   -1.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0654   -0.0870    1.7391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5070   -1.3660    0.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5413    0.5131    0.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0095   -1.2455   -1.6713 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