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
    3.2601   -0.0654    0.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9074   -0.1037    0.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0961   -0.0125   -0.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3283   -0.0404   -0.4040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1981   -1.1602   -0.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8140   -2.3440   -0.4841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5514   -0.7185   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5314    0.5983    0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1779    1.0913   -0.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7830    2.2906   -0.1485 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6733    0.7845    0.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6748    0.7166    1.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7817   -1.0862    1.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211   -0.8086   -1.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3743    0.9770   -1.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4242   -1.3484    0.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3806    1.2294    0.2521 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