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
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
-2.2267 0.6283 1.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2489 -0.0993 -0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0699 -0.9339 -0.3886 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2043 -0.2507 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2071 0.9895 -0.1759 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4116 -0.9639 -0.3528 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6835 -0.3887 -0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9691 0.8718 -0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4167 0.2598 1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0778 1.7155 0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1876 0.3954 1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1160 0.6766 -1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1780 -0.6600 -0.4926 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0774 -1.9546 -0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3040 -2.0277 -0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 -1.1134 -0.3347 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2650 1.6612 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0302 1.1941 -0.0955 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