Monomers
1-Ethenyl-3-ethylurea
Identifiers
IUPAC name
1-ethenyl-3-ethylurea
InchI
InChI=1S/C5H10N2O/c1-3-6-5(8)7-4-2/h3H,1,4H2,2H3,(H2,6,7,8)
InchI Key
LIOYFPXDFZHOGN-UHFFFAOYSA-N
SMILES
CCNC(=O)NC=C
Canonical SMILES
CCNC(=O)NC=C
Isomeric SMILES
CCNC(=O)NC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H10N2O
Heavy Atom Count
8
Molecular Weight
114.148
Exact Molecular Weight
114.0793
Valence Electrons
46
Radical Electrons
0
tPSA
41.13
MolLogP
0.449
H Bond Acceptors
1
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
18 17 0 0 0 0 0 0 0 0999 V2000
3.1856 0.4039 -0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9671 -0.0702 0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7955 0.2496 -0.4477 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5149 -0.0970 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5935 -0.6714 1.1209 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6055 0.2258 -0.8013 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9280 -0.0587 -0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2866 -0.6510 0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9116 1.1287 -1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8719 0.8750 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7832 -0.4105 -0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9368 -1.1725 0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8127 0.3997 1.3583 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8878 0.7253 -1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4307 0.7166 -1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7248 0.2363 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3745 -0.8191 0.7793 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6936 -1.0106 1.4338 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 2 0
4 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
6 15 1 0
7 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers