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
    2.1446    0.4997   -0.9548 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0493   -0.5503   -0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9911   -0.2099    0.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3078   -0.0018    0.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8938    1.2060   -0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2937    2.3276   -0.1115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2342    0.9320   -0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4667   -0.3604   -0.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3180   -1.0073    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2038   -2.2357    0.4359 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8622    1.1427   -0.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7765   -1.4780   -0.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9896   -0.7349    0.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3003    0.6953    1.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8824   -1.0584    1.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8896    1.6786   -1.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3884   -0.8452   -0.7787 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