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
   -1.7451    0.8072    1.4086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0614    0.2867    0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1404   -0.8397   -0.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2307   -0.4263   -0.3235 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.0994   -1.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3979    0.2992   -2.6206 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2698    0.3624   -1.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4024    0.0239    0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621   -0.4811    0.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9661   -0.8871    1.9432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8795    1.8072    1.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1168   -0.0507    0.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0187    1.0538   -0.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2307   -1.6206    0.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4906   -1.3129   -1.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0388    0.7717   -1.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3154    0.1069    0.8300 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