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
-3.2790 0.4081 0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0965 -0.4770 0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9090 0.2210 0.2696 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3680 -0.4025 0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3946 -1.5648 0.8754 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5483 0.2576 -0.0623 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8213 -0.3908 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9119 0.2137 -0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1964 -0.1851 0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0448 1.1136 -0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5083 1.0189 1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1881 -1.3856 0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9465 -0.7448 1.7877 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9407 1.1825 -0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5006 1.2164 -0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8544 -1.3972 0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8554 1.1934 -0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8548 -0.2773 -0.2559 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