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
   -2.1266    0.8001    0.8016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9993   -0.4644    0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0418   -0.5471   -0.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2874   -0.1482   -0.5473 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129    1.1701   -0.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1844    2.2022   -1.0320 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1953    1.0705   -0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5146   -0.1679    0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3285   -0.9826   -0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2564   -2.2065    0.1481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6994    1.3962    0.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6478   -1.1339    1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0095   -0.7580   -0.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3740    0.0391   -1.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448   -1.6162   -1.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9050    1.9009   -0.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4588   -0.5542    0.5084 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