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
-2.7359 -0.6232 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2911 0.3551 -0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9482 0.8567 -0.2073 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1844 -0.0213 -0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0732 -1.2493 -0.3309 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4976 0.4567 0.0622 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5940 -0.4311 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8243 -0.0083 0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5484 -1.6564 0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2753 -0.4490 1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8569 -0.5776 0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4018 -0.0670 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9708 1.2442 -0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7290 1.8715 -0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6759 1.4710 0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4245 -1.5109 -0.0391 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9766 1.0543 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6534 -0.7154 0.3365 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