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
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
3.2462 -0.2453 -0.1645 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8774 -0.2809 -0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0814 0.3008 0.7338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3146 0.2148 0.3717 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2074 -0.8728 0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8457 -1.9090 1.2432 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5230 -0.5525 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4699 0.6400 -0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0949 1.1745 -0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6684 2.2745 -0.7247 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7166 -0.6617 -0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5967 -1.3585 -0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6005 0.2731 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2760 -0.2929 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4115 1.3560 0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3828 -1.1883 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2996 1.1282 -0.9321 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