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
-2.1481 -1.2445 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1904 0.1142 0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1729 0.3929 -0.4706 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2015 0.3357 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4554 0.0350 1.0779 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2549 0.5988 -1.0010 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6281 0.5718 -0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1859 0.2925 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7954 -1.2361 2.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1695 -1.6133 1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6350 -2.0061 0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1988 0.2244 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2074 0.8966 1.3028 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3890 0.6449 -1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9318 0.8493 -1.9976 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3013 0.8073 -1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6628 0.0442 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2849 0.2923 0.5003 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