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
-3.3445 -0.3547 0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0540 0.3261 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8942 -0.2772 0.2321 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3616 0.2856 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4702 1.2932 -0.8272 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5919 -0.2223 0.4548 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8349 0.3841 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9617 -0.1029 0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5442 -1.2578 -0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1583 0.3850 -0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3706 -0.6114 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9624 0.3125 -1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1207 1.3727 0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9818 -1.0930 0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5303 -1.0519 1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8404 1.2371 -0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9285 -0.9623 1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9112 0.3371 0.3793 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