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
   -1.7720    1.1261    0.9516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0010   -0.1616    0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1605   -0.3678   -0.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2196   -0.1917   -0.3925 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9904    1.0058   -0.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5797    2.1517   -0.7222 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3403    0.7035    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636   -0.5959    0.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0872   -1.2145    0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8141   -2.4540    0.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3538    1.7442    0.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0490   -0.2833    0.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6821   -0.8563    1.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3609   -1.3434   -1.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4350    0.4495   -1.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1688    1.4091    0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506   -1.1214    0.7220 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