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
   -1.9573   -0.8317   -1.1411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0344    0.2367   -0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560    0.0615    0.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2976   -0.0172    0.4339 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0608   -1.1317    0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6833   -2.3102    0.0545 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738   -0.6387   -0.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4074    0.6806   -0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1322    1.1402    0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8395    2.3470    0.5059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8630   -0.9740   -1.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0453    0.2670    0.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7750    1.1507   -0.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3643   -0.8806    1.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1423    0.8639    1.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1683   -1.2832   -0.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2746    1.3198   -0.4327 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