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
-2.5263 0.3135 -0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1229 -0.8145 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9158 -0.4748 1.0281 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2915 -0.1969 0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3046 -0.2501 -0.9344 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4968 0.1425 0.9858 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7374 0.4335 0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0184 0.4485 -0.8893 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8170 -0.0886 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6529 0.9880 -0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3715 0.8566 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9385 -1.7194 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9689 -0.9965 1.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9438 -0.4367 2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4379 0.1751 2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5515 0.6748 1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3711 0.2454 -1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0485 0.6994 -1.1907 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