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
-3.2245 -0.6010 0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1368 0.4258 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8602 -0.2763 0.1226 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3235 0.5041 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2744 1.7662 -0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5637 -0.1908 -0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7569 0.5653 -0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9101 -0.0466 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9176 -1.5851 -0.1697 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3875 -0.8065 1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1567 -0.3153 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2902 0.9529 -0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1458 1.1862 0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7977 -1.3225 0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5804 -1.2452 0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6996 1.6613 -0.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8667 0.4471 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9417 -1.1195 -0.0646 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