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
-3.2550 -0.6239 -0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1700 0.2585 0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8962 -0.2083 -0.1707 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3279 0.4002 0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3484 1.3743 0.9898 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5866 -0.0361 -0.3071 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8106 0.5606 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9317 0.1060 -0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9702 -0.9489 0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7718 -0.1068 -1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8070 -1.5727 -0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3423 1.2873 0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2310 0.1760 1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8268 -1.0199 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5741 -0.8323 -0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8104 1.3867 0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9681 -0.7314 -1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9124 0.5309 -0.2139 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