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
   -2.0468    1.1529    0.1613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0604   -0.2351    0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0301   -0.7763   -0.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3041   -0.2875   -0.3798 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9321    0.8812   -0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3991    1.6961   -1.6931 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2763    0.9711   -0.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4713   -0.0608    0.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2581   -0.8914    0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0996   -1.9532    1.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6430    1.4839   -0.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9114   -0.5822    1.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0508   -0.5853   -0.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3513   -0.4613   -1.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0420   -1.8754   -0.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9982    1.7711   -0.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3971   -0.2478    1.0620 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