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
-3.3257 0.3826 -0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1216 -0.2335 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8853 0.2392 -0.2550 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3322 -0.2528 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3014 -1.0732 1.2609 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6058 0.1150 -0.1926 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8126 -0.3935 0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9818 -0.0307 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1150 0.5977 -1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1647 -0.3282 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5992 1.3539 0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1142 0.0911 1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2143 -1.3300 0.3022 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8552 0.9073 -1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6406 0.7901 -0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7542 -1.0887 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0712 0.6627 -0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8953 -0.4089 0.3165 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