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
   -2.0743    1.1250   -0.5802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0869   -0.1497   -0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9985   -0.3658    0.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3199   -0.1685    0.4015 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1684   -1.1158   -0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8969   -2.3297   -0.3774 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950   -0.4659   -0.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2937    0.8056   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0231    1.0610    0.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6181    2.1731    0.8079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5170    1.1105   -1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0629   -0.3583    0.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9834   -0.8570   -0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1814    0.3044    1.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1014   -1.4090    1.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2540   -0.9311   -1.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    1.5712   -0.4790 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